Chemical ID: 4123808

CNCC(Cn1c2ccccc2c3c1CCCC3)O
Chemical ID:
4123808
Name [?]:
1-methylamino-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
SMILES [?]:
CNCC(Cn1c2ccccc2c3c1CCCC3)O
InChi [?]:
InChI=1/C16H22N2O/c1-17-10-12(19)11-18-15-8-4-2-6-13(15)14-7-3-5-9-16(14)18/h2,4,6,8,12,17,19H,3,5,7,9-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,10,17,9,16,11,18,8,15,3,5,4,12,13,7,14,2,6,19/rA:19cCNCCCNCCCCCCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s6d13;s14;s15;s16;s13s17;s4;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H22N2O
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:7.86594
Area:448.514
Solvation:-3.34692
Coulombic:-31.3835
Bond Count [?]
All:21
Single:17
Double:4
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:258.359
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:2.18
LogP (Chemaxon):2.78

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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