Chemical ID: 4179018

CC(CCc1ccc(cc1)OC)NCc2ccc(cc2)F
Chemical ID:
4179018
Name [?]:
N-[(4-fluorophenyl)methyl]-4-(4-methoxyphenyl)-butan-2-amine
SMILES [?]:
CC(CCc1ccc(cc1)OC)NCc2ccc(cc2)F
InChi [?]:
InChI=1/C18H22FNO/c1-14(20-13-16-5-9-17(19)10-6-16)3-4-15-7-11-18(21-2)12-8-15/h5-12,14,20H,3-4,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,3,4,16,20,6,10,17,19,7,9,14,2,5,15,18,8,21,13,11/E:(5,6)(7,8)(9,10)(11,12)/rA:21cCCCCCCCCCCOCNCCCCCCCF/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;s2;s13;s14;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H22FNO
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:9.37923
Area:516.954
Solvation:-3.54461
Coulombic:-22.2289
Bond Count [?]
All:22
Single:16
Double:6
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:287.372
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.3
LogP (Chemaxon):4.3

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Descriptor Annotations

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