Chemical ID: 4123750

CCN1CCCC1CNCc2ccc(cc2)OC
Chemical ID:
4123750
Name [?]:
1-(1-ethylpyrrolidin-2-yl)-N-[(4-methoxyphenyl)methyl]methanamine
SMILES [?]:
CCN1CCCC1CNCc2ccc(cc2)OC
InChi [?]:
InChI=1/C15H24N2O/c1-3-17-10-4-5-14(17)12-16-11-13-6-8-15(18-2)9-7-13/h6-9,14,16H,3-5,10-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,2,5,6,12,16,13,15,4,10,8,11,7,14,9,3,17/E:(6,7)(8,9)/rA:18cCCNCCCCCNCCCCCCCOC/rB:s1;s2;s3;s4;s5;s3s6;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s14;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H24N2O
All Atoms:18
Heavy Atoms:18
Chiral Atoms:2
ZAP Information [?]
Total:8.70537
Area:464.457
Solvation:-2.90604
Coulombic:-21.8838
Bond Count [?]
All:19
Single:16
Double:3
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:248.364
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.27
LogP (Chemaxon):2.04

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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