Chemical ID: 5829646

CCc1ccc(cc1)CN2CCc3ccccc3C2
Chemical ID:
5829646
Name [?]:
2-[(4-ethylphenyl)methyl]-3,4-dihydro-1H-isoquinoline
SMILES [?]:
CCc1ccc(cc1)CN2CCc3ccccc3C2
InChi [?]:
InChI=1/C18H21N/c1-2-15-7-9-16(10-8-15)13-19-12-11-17-5-3-4-6-18(17)14-19/h3-10H,2,11-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,15,16,14,17,4,8,5,7,12,11,9,19,3,6,13,18,10/E:(7,8)(9,10)/rA:19cCCCCCCCCCNCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s10s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H21N
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:9.75881
Area:453.749
Solvation:-1.58492
Coulombic:-8.08088
Bond Count [?]
All:21
Single:15
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:251.366
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.23
LogP (Chemaxon):4.56

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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