Chemical ID: 5069345

CC1CC(NC1)c2ccc(cc2)c3ccccc3
Chemical ID:
5069345
Name [?]:
4-methyl-2-(4-phenylphenyl)-pyrrolidine
SMILES [?]:
CC1CC(NC1)c2ccc(cc2)c3ccccc3
InChi [?]:
InChI=1/C17H19N/c1-13-11-17(18-12-13)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,13,17-18H,11-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,15,17,14,18,9,11,8,12,3,6,2,13,10,7,4,5/E:(3,4)(5,6)(7,8)(9,10)/rA:18cCCCCNCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s2s5;s4;s7;d8;s9;d10;d7s11;s10;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19N
All Atoms:18
Heavy Atoms:18
Chiral Atoms:2
ZAP Information [?]
Total:9.67712
Area:438.353
Solvation:-1.28172
Coulombic:-12.4504
Bond Count [?]
All:20
Single:14
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:237.339
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:4.38
LogP (Chemaxon):4.06

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Descriptor Annotations

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