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Chemical ID: 5155636

Chemical ID:

5155636

Name [?]:

3-(2-methoxycarbazol-9-yl)-N,N-dimethyl-propan-1-amine

SMILES [?]:

CN(C)CCCn1c2ccccc2c3c1cc(cc3)OC

InChi [?]:

InChI=1/C18H22N2O/c1-19(2)11-6-12-20-17-8-5-4-7-15(17)16-10-9-14(21-3)13-18(16)20/h4-5,7-10,13H,6,11-12H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,3,21,11,10,5,12,9,18,19,4,6,16,17,13,14,8,15,2,7,20/E:(1,2)/rA:21nCNCCCCNCCCCCCCCCCCCOC/rB:s1;s2;s2;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;s7s14;d15;s16;d17;d14s18;s17;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₂N₂O
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	9.32753
Area:	495.313
Solvation:	-3.05529
Coulombic:	-19.5507

Bond Count [?]

All:	23
Single:	17
Double:	6
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	282.38
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	3.96
LogP (Chemaxon):	3.87

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value