2-(3-chlorophenyl)-3-(5-fluoro-2-methylphenyl)propan-1-amine

C16H17ClFN — CID 105375007

IUPAC2-(3-chlorophenyl)-3-(5-fluoro-2-methylphenyl)propan-1-amine
SMILESCc1ccc(F)cc1CC(CN)c1cccc(Cl)c1
InChIInChI=1S/C16H17ClFN/c1-11-5-6-16(18)9-13(11)7-14(10-19)12-3-2-4-15(17)8-12/h2-6,8-9,14H,7,10,19H2,1H3
InChIKeyRCWKKTLRTITZIL-UHFFFAOYSA-N
MW277.77 g/mol
LogP4.07
Rot. Bonds4

About 2-(3-chlorophenyl)-3-(5-fluoro-2-methylphenyl)propan-1-amine

2-(3-chlorophenyl)-3-(5-fluoro-2-methylphenyl)propan-1-amine (PubChem CID 105375007) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-(5-fluoro-2-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-(5-fluoro-2-methylphenyl)propan-1-amine
PubChem CID105375007
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC Name2-(3-chlorophenyl)-3-(5-fluoro-2-methylphenyl)propan-1-amine
SMILESCc1ccc(F)cc1CC(CN)c1cccc(Cl)c1
InChIInChI=1S/C16H17ClFN/c1-11-5-6-16(18)9-13(11)7-14(10-19)12-3-2-4-15(17)8-12/h2-6,8-9,14H,7,10,19H2,1H3
InChIKeyRCWKKTLRTITZIL-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

3-(2-chloro-4-fluorophenyl)-2-(3-chlorophenyl)propan-1-amine
CID 79443118
3-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-amine
CID 105374999
3-(5-fluoro-2-methylphenyl)-2-(3-fluorophenyl)propan-1-ol
CID 105375972
3-(4-chloro-2-fluorophenyl)-2-(3-fluorophenyl)propan-1-amine
CID 114858839
N-[1-(3-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethyl]propan-1-amine
CID 105373665
3-(5-fluoro-2-methylphenyl)-2-(3-methylphenyl)propan-1-ol
CID 105375965
2-(4-chlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-1-amine
CID 114348931
3-(2-bromo-5-fluorophenyl)-2-(3-methylphenyl)propan-1-amine
CID 79416738
2-(4-chlorophenyl)-3-(2,5-difluorophenyl)propan-1-amine
CID 79441820
2-[(3-chlorophenyl)methyl]-3-(5-fluoro-2-methylphenyl)propan-1-ol
CID 105375957
2-(3,4-difluorophenyl)-3-(2-methylphenyl)propan-1-amine
CID 83973724
3-(2-chloro-5-fluorophenyl)-2-(4-methylphenyl)propan-1-amine
CID 102619951

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-(5-fluoro-2-methylphenyl)propan-1-amine?
The IUPAC name of 2-(3-chlorophenyl)-3-(5-fluoro-2-methylphenyl)propan-1-amine (CID 105375007) is 2-(3-chlorophenyl)-3-(5-fluoro-2-methylphenyl)propan-1-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-3-(5-fluoro-2-methylphenyl)propan-1-amine?
The canonical SMILES for 2-(3-chlorophenyl)-3-(5-fluoro-2-methylphenyl)propan-1-amine is Cc1ccc(F)cc1CC(CN)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-3-(5-fluoro-2-methylphenyl)propan-1-amine?
The InChIKey is RCWKKTLRTITZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN/c1-11-5-6-16(18)9-13(11)7-14(10-19)12-3-2-4-15(17)8-12/h2-6,8-9,14H,7,10,19H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-3-(5-fluoro-2-methylphenyl)propan-1-amine?
2-(3-chlorophenyl)-3-(5-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-(3-chlorophenyl)-3-(5-fluoro-2-methylphenyl)propan-1-amine is sourced from PubChem (CID 105375007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).