3-(2-chloro-4-methylphenyl)-2-fluoro-2-phenylpropan-1-amine

C16H17ClFN — CID 106871130

IUPAC3-(2-chloro-4-methylphenyl)-2-fluoro-2-phenylpropan-1-amine
SMILESCc1ccc(CC(F)(CN)c2ccccc2)c(Cl)c1
InChIInChI=1S/C16H17ClFN/c1-12-7-8-13(15(17)9-12)10-16(18,11-19)14-5-3-2-4-6-14/h2-9H,10-11,19H2,1H3
InChIKeyPPLVAHIRZPWJIO-UHFFFAOYSA-N
MW277.77 g/mol
LogP4.01
Rot. Bonds4

About 3-(2-chloro-4-methylphenyl)-2-fluoro-2-phenylpropan-1-amine

3-(2-chloro-4-methylphenyl)-2-fluoro-2-phenylpropan-1-amine (PubChem CID 106871130) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is 3-(2-chloro-4-methylphenyl)-2-fluoro-2-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(2-chloro-4-methylphenyl)-2-fluoro-2-phenylpropan-1-amine
PubChem CID106871130
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC Name3-(2-chloro-4-methylphenyl)-2-fluoro-2-phenylpropan-1-amine
SMILESCc1ccc(CC(F)(CN)c2ccccc2)c(Cl)c1
InChIInChI=1S/C16H17ClFN/c1-12-7-8-13(15(17)9-12)10-16(18,11-19)14-5-3-2-4-6-14/h2-9H,10-11,19H2,1H3
InChIKeyPPLVAHIRZPWJIO-UHFFFAOYSA-N
XLogP4.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,6-dimethylphenyl)-2-fluoro-2-phenylpropan-1-amine
CID 112566259
1-(2-chloro-3,3,3-trifluoro-2-phenylpropyl)-2,4-dimethylbenzene
CID 151014119
2-[(2-chloro-4-methylphenyl)methyl]-3-oxo-2-phenylbutanenitrile
CID 106870514
2-fluoro-3-naphthalen-1-yl-2-phenylpropan-1-amine
CID 115918085
2-fluoro-2-phenyl-3-(4-propan-2-ylphenyl)propan-1-amine
CID 115918116
2,3,3,3-tetrafluoro-2-(3-methylphenyl)propan-1-amine
CID 84735272
1-(2-chloro-4-methylphenyl)-2-(3,5-dimethylphenyl)propan-2-ol
CID 106866548
2-chloro-1-[3-chloro-2-(chloromethyl)-2-(2-chlorophenyl)propyl]-4-methylbenzene
CID 106870780
2-(3-bromophenyl)-2-[(2-chloro-4-methylphenyl)methyl]propane-1,3-diol
CID 106870763
1-(2,4-dichlorophenyl)-2-phenylpropan-2-amine
CID 62621984
2-fluoro-3-(4-iodophenyl)-2-phenylpropan-1-amine
CID 112566336
1-(2-chloro-4-methylphenyl)-4,4,4-trifluorobutan-2-amine
CID 106867257

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-methylphenyl)-2-fluoro-2-phenylpropan-1-amine?
The IUPAC name of 3-(2-chloro-4-methylphenyl)-2-fluoro-2-phenylpropan-1-amine (CID 106871130) is 3-(2-chloro-4-methylphenyl)-2-fluoro-2-phenylpropan-1-amine.
What is the SMILES notation for 3-(2-chloro-4-methylphenyl)-2-fluoro-2-phenylpropan-1-amine?
The canonical SMILES for 3-(2-chloro-4-methylphenyl)-2-fluoro-2-phenylpropan-1-amine is Cc1ccc(CC(F)(CN)c2ccccc2)c(Cl)c1.
What is the InChIKey of 3-(2-chloro-4-methylphenyl)-2-fluoro-2-phenylpropan-1-amine?
The InChIKey is PPLVAHIRZPWJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN/c1-12-7-8-13(15(17)9-12)10-16(18,11-19)14-5-3-2-4-6-14/h2-9H,10-11,19H2,1H3.
What are the key properties of 3-(2-chloro-4-methylphenyl)-2-fluoro-2-phenylpropan-1-amine?
3-(2-chloro-4-methylphenyl)-2-fluoro-2-phenylpropan-1-amine has a molecular weight of 277.77 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-methylphenyl)-2-fluoro-2-phenylpropan-1-amine is sourced from PubChem (CID 106871130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).