N-[[3-(2-fluorophenyl)phenyl]methyl]-1-(3-methoxyphenyl)ethanamine

C22H22FNO — CID 22391318

IUPACN-[[3-(2-fluorophenyl)phenyl]methyl]-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(C)NCc2cccc(-c3ccccc3F)c2)c1
InChIInChI=1S/C22H22FNO/c1-16(18-8-6-10-20(14-18)25-2)24-15-17-7-5-9-19(13-17)21-11-3-4-12-22(21)23/h3-14,16,24H,15H2,1-2H3
InChIKeyAKNXCVXQUJVRHZ-UHFFFAOYSA-N
MW335.42 g/mol
LogP5.35
Rot. Bonds6

About N-[[3-(2-fluorophenyl)phenyl]methyl]-1-(3-methoxyphenyl)ethanamine

N-[[3-(2-fluorophenyl)phenyl]methyl]-1-(3-methoxyphenyl)ethanamine (PubChem CID 22391318) has the molecular formula C22H22FNO and a molecular weight of 335.42 g/mol. Its IUPAC name is N-[[3-(2-fluorophenyl)phenyl]methyl]-1-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[[3-(2-fluorophenyl)phenyl]methyl]-1-(3-methoxyphenyl)ethanamine
PubChem CID22391318
Molecular FormulaC22H22FNO
Molecular Weight335.42 g/mol
Exact Mass335.17
IUPAC NameN-[[3-(2-fluorophenyl)phenyl]methyl]-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(C)NCc2cccc(-c3ccccc3F)c2)c1
InChIInChI=1S/C22H22FNO/c1-16(18-8-6-10-20(14-18)25-2)24-15-17-7-5-9-19(13-17)21-11-3-4-12-22(21)23/h3-14,16,24H,15H2,1-2H3
InChIKeyAKNXCVXQUJVRHZ-UHFFFAOYSA-N
XLogP5.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.42
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[3-(2-fluorophenyl)phenyl]methyl]-1-(3-methoxyphenyl)ethanamine with MolForge

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Related Compounds

(1R)-N-[(3,4-difluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376127
(1S)-N-[(2,6-difluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376003
(1R)-N-[(3-bromo-4-fluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376213
(1R)-N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81437346
(1R)-N-[(2,3-difluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376568
1-(3-methoxyphenyl)-N-[(3-pyrazin-2-ylphenyl)methyl]ethanamine
CID 22391578
(1R)-N-[(2-chloro-3-fluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 103954655
(1S)-1-(3-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 28649457
(1R)-1-(3-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 28649459
(1S)-N-[(2-chloro-6-fluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376672
(1R)-1-(3-methoxyphenyl)-N-(thiophen-3-ylmethyl)ethanamine
CID 81376061
1-(2,3-difluorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 103878320

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-fluorophenyl)phenyl]methyl]-1-(3-methoxyphenyl)ethanamine?
The IUPAC name of N-[[3-(2-fluorophenyl)phenyl]methyl]-1-(3-methoxyphenyl)ethanamine (CID 22391318) is N-[[3-(2-fluorophenyl)phenyl]methyl]-1-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[[3-(2-fluorophenyl)phenyl]methyl]-1-(3-methoxyphenyl)ethanamine?
The canonical SMILES for N-[[3-(2-fluorophenyl)phenyl]methyl]-1-(3-methoxyphenyl)ethanamine is COc1cccc(C(C)NCc2cccc(-c3ccccc3F)c2)c1.
What is the InChIKey of N-[[3-(2-fluorophenyl)phenyl]methyl]-1-(3-methoxyphenyl)ethanamine?
The InChIKey is AKNXCVXQUJVRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FNO/c1-16(18-8-6-10-20(14-18)25-2)24-15-17-7-5-9-19(13-17)21-11-3-4-12-22(21)23/h3-14,16,24H,15H2,1-2H3.
What are the key properties of N-[[3-(2-fluorophenyl)phenyl]methyl]-1-(3-methoxyphenyl)ethanamine?
N-[[3-(2-fluorophenyl)phenyl]methyl]-1-(3-methoxyphenyl)ethanamine has a molecular weight of 335.42 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-fluorophenyl)phenyl]methyl]-1-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 22391318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).