Chemical ID: 5143562

COc1ccc(cc1OC)CCNC2CC3CCC2C3
Chemical ID:
5143562
Name [?]:
N-[2-(3,4-dimethoxyphenyl)ethyl]norbornan-2-amine
SMILES [?]:
COc1ccc(cc1OC)CCNC2CC3CCC2C3
InChi [?]:
InChI=1/C17H25NO2/c1-19-16-6-4-12(11-17(16)20-2)7-8-18-15-10-13-3-5-14(15)9-13/h4,6,11,13-15,18H,3,5,7-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,17,5,18,4,11,12,20,15,7,6,16,19,14,3,8,13,2,9/rA:20cCOCCCCCCOCCCNCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;s13;s14;s15;s16;s17;s14s18;s16s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H25NO2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:3
ZAP Information [?]
Total:7.88187
Area:489.605
Solvation:-4.35825
Coulombic:-24.0809
Bond Count [?]
All:22
Single:19
Double:3
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:275.386
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.98
LogP (Chemaxon):2.74

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Descriptor Annotations

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