2-[4-chloro-3-(2-fluoro-6-methylphenyl)phenyl]-2-phenylethanamine

C21H19ClFN — CID 172604544

IUPAC2-[4-chloro-3-(2-fluoro-6-methylphenyl)phenyl]-2-phenylethanamine
SMILESCc1cccc(F)c1-c1cc(C(CN)c2ccccc2)ccc1Cl
InChIInChI=1S/C21H19ClFN/c1-14-6-5-9-20(23)21(14)17-12-16(10-11-19(17)22)18(13-24)15-7-3-2-4-8-15/h2-12,18H,13,24H2,1H3
InChIKeyGYBVYBROVYWBNW-UHFFFAOYSA-N
MW339.84 g/mol
LogP5.55
Rot. Bonds4

About 2-[4-chloro-3-(2-fluoro-6-methylphenyl)phenyl]-2-phenylethanamine

2-[4-chloro-3-(2-fluoro-6-methylphenyl)phenyl]-2-phenylethanamine (PubChem CID 172604544) has the molecular formula C21H19ClFN and a molecular weight of 339.84 g/mol. Its IUPAC name is 2-[4-chloro-3-(2-fluoro-6-methylphenyl)phenyl]-2-phenylethanamine.

Molecular Properties

Compound Name2-[4-chloro-3-(2-fluoro-6-methylphenyl)phenyl]-2-phenylethanamine
PubChem CID172604544
Molecular FormulaC21H19ClFN
Molecular Weight339.84 g/mol
Exact Mass339.12
IUPAC Name2-[4-chloro-3-(2-fluoro-6-methylphenyl)phenyl]-2-phenylethanamine
SMILESCc1cccc(F)c1-c1cc(C(CN)c2ccccc2)ccc1Cl
InChIInChI=1S/C21H19ClFN/c1-14-6-5-9-20(23)21(14)17-12-16(10-11-19(17)22)18(13-24)15-7-3-2-4-8-15/h2-12,18H,13,24H2,1H3
InChIKeyGYBVYBROVYWBNW-UHFFFAOYSA-N
XLogP5.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.84
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[5-(2-amino-1-phenylethyl)-2-chlorophenyl]-3,4-difluorobenzonitrile
CID 172604169
(2S)-2-(3,4-dichlorophenyl)-2-phenylethanamine
CID 26249036
azanide;2-[4-chloro-3-(2-fluorobenzene-6-id-1-yl)phenyl]-2-phenylethanamine;hexan-1-amine;tungsten(2+)
CID 172604714
2-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethanamine
CID 82023265
2-[4-chloro-3-[2-fluoro-3-(pyridin-2-ylmethoxy)phenyl]phenyl]-2-phenylethanamine
CID 172604933
2-(3,5-dichlorophenyl)-2-phenylethanamine
CID 5170020
2-[5-(2-amino-1-phenylethyl)-2-chlorothiophen-3-yl]-3-fluorobenzaldehyde
CID 172604867
2-(4-chlorophenyl)-2-(3-methoxyphenyl)ethanamine
CID 82023304
2-(4-chlorophenyl)-2-(2-fluorophenyl)ethanamine
CID 82023285
2,2-bis(4-chlorophenyl)ethanamine
CID 13110442
(2R)-2-(2,6-dichlorophenyl)-2-phenylethanamine
CID 125466281
2-[4-(aminomethyl)phenyl]-2-phenylethanamine
CID 53429078

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3-(2-fluoro-6-methylphenyl)phenyl]-2-phenylethanamine?
The IUPAC name of 2-[4-chloro-3-(2-fluoro-6-methylphenyl)phenyl]-2-phenylethanamine (CID 172604544) is 2-[4-chloro-3-(2-fluoro-6-methylphenyl)phenyl]-2-phenylethanamine.
What is the SMILES notation for 2-[4-chloro-3-(2-fluoro-6-methylphenyl)phenyl]-2-phenylethanamine?
The canonical SMILES for 2-[4-chloro-3-(2-fluoro-6-methylphenyl)phenyl]-2-phenylethanamine is Cc1cccc(F)c1-c1cc(C(CN)c2ccccc2)ccc1Cl.
What is the InChIKey of 2-[4-chloro-3-(2-fluoro-6-methylphenyl)phenyl]-2-phenylethanamine?
The InChIKey is GYBVYBROVYWBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN/c1-14-6-5-9-20(23)21(14)17-12-16(10-11-19(17)22)18(13-24)15-7-3-2-4-8-15/h2-12,18H,13,24H2,1H3.
What are the key properties of 2-[4-chloro-3-(2-fluoro-6-methylphenyl)phenyl]-2-phenylethanamine?
2-[4-chloro-3-(2-fluoro-6-methylphenyl)phenyl]-2-phenylethanamine has a molecular weight of 339.84 g/mol, XLogP of 5.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3-(2-fluoro-6-methylphenyl)phenyl]-2-phenylethanamine is sourced from PubChem (CID 172604544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).