2-(4-chlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-1-amine

C16H17ClFN — CID 114348931

IUPAC2-(4-chlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-1-amine
SMILESCc1cc(F)ccc1CC(CN)c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClFN/c1-11-8-16(18)7-4-13(11)9-14(10-19)12-2-5-15(17)6-3-12/h2-8,14H,9-10,19H2,1H3
InChIKeyMHZLFMXNNQWSHZ-UHFFFAOYSA-N
MW277.77 g/mol
LogP4.07
Rot. Bonds4

About 2-(4-chlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-1-amine

2-(4-chlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-1-amine (PubChem CID 114348931) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-1-amine
PubChem CID114348931
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC Name2-(4-chlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-1-amine
SMILESCc1cc(F)ccc1CC(CN)c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClFN/c1-11-8-16(18)7-4-13(11)9-14(10-19)12-2-5-15(17)6-3-12/h2-8,14H,9-10,19H2,1H3
InChIKeyMHZLFMXNNQWSHZ-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chlorophenyl)-3-(2,4-difluorophenyl)propan-1-amine
CID 79442407
2-(4-chlorophenyl)-3-(2,5-difluorophenyl)propan-1-amine
CID 79441820
3-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-amine
CID 105374999
3-(2-chloro-5-fluorophenyl)-2-(4-methylphenyl)propan-1-amine
CID 102619951
3-(4-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-ol
CID 114349840
2-(3-chlorophenyl)-3-(5-fluoro-2-methylphenyl)propan-1-amine
CID 105375007
1-(4-chlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-amine
CID 114347640
2-(3,4-difluorophenyl)-3-(2-methylphenyl)propan-1-amine
CID 83973724
3-(4-chloro-2-fluorophenyl)-2-(3-fluorophenyl)propan-1-amine
CID 114858839
2-(4-chlorophenyl)-3-(2,5-difluorophenyl)-N-methylpropan-1-amine
CID 79441418
3-(2-chloro-4-fluorophenyl)-2-(3-chlorophenyl)propan-1-amine
CID 79443118
1-(2,4-dichlorophenyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105050988

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-1-amine?
The IUPAC name of 2-(4-chlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-1-amine (CID 114348931) is 2-(4-chlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-1-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-1-amine?
The canonical SMILES for 2-(4-chlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-1-amine is Cc1cc(F)ccc1CC(CN)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-1-amine?
The InChIKey is MHZLFMXNNQWSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN/c1-11-8-16(18)7-4-13(11)9-14(10-19)12-2-5-15(17)6-3-12/h2-8,14H,9-10,19H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-1-amine?
2-(4-chlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-1-amine has a molecular weight of 277.77 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-1-amine is sourced from PubChem (CID 114348931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).