1-(3-chloro-4-fluorophenyl)-3-(4-methoxyphenyl)propan-2-amine

C16H17ClFNO — CID 103039883

IUPAC1-(3-chloro-4-fluorophenyl)-3-(4-methoxyphenyl)propan-2-amine
SMILESCOc1ccc(CC(N)Cc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C16H17ClFNO/c1-20-14-5-2-11(3-6-14)8-13(19)9-12-4-7-16(18)15(17)10-12/h2-7,10,13H,8-9,19H2,1H3
InChIKeyKDFBDYWTKXSQMQ-UHFFFAOYSA-N
MW293.77 g/mol
LogP3.60
Rot. Bonds5

About 1-(3-chloro-4-fluorophenyl)-3-(4-methoxyphenyl)propan-2-amine

1-(3-chloro-4-fluorophenyl)-3-(4-methoxyphenyl)propan-2-amine (PubChem CID 103039883) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-(4-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-(4-methoxyphenyl)propan-2-amine
PubChem CID103039883
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-(4-methoxyphenyl)propan-2-amine
SMILESCOc1ccc(CC(N)Cc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C16H17ClFNO/c1-20-14-5-2-11(3-6-14)8-13(19)9-12-4-7-16(18)15(17)10-12/h2-7,10,13H,8-9,19H2,1H3
InChIKeyKDFBDYWTKXSQMQ-UHFFFAOYSA-N
XLogP3.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-fluorophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 103039879
1-(3-chloro-4-fluorophenyl)butan-2-amine
CID 79020957
1-(4-chloro-3-fluorophenyl)-4-(4-methoxyphenyl)butan-2-amine
CID 107892055
1-(3-chloro-4-fluorophenyl)pentan-2-amine
CID 103039784
2-(3-chloro-4-fluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol
CID 103038976
1-(3-chloro-4-fluorophenyl)propan-2-amine
CID 55254568
1-(3-chloro-4-fluorophenyl)-4,4-dimethylpentan-2-amine
CID 103040033
1-(3-chloro-4-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 103042919
2-[(4-chloro-3-fluorophenyl)methyl]-3-(4-methoxyphenyl)propan-1-amine
CID 107897068
(2S)-1-chloro-3-(4-methoxyphenyl)propan-2-amine
CID 89360253
2-(4-chlorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 43561283
1-(4-chlorophenoxy)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine
CID 105122004

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-(4-methoxyphenyl)propan-2-amine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-(4-methoxyphenyl)propan-2-amine (CID 103039883) is 1-(3-chloro-4-fluorophenyl)-3-(4-methoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-(4-methoxyphenyl)propan-2-amine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-(4-methoxyphenyl)propan-2-amine is COc1ccc(CC(N)Cc2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-(4-methoxyphenyl)propan-2-amine?
The InChIKey is KDFBDYWTKXSQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-20-14-5-2-11(3-6-14)8-13(19)9-12-4-7-16(18)15(17)10-12/h2-7,10,13H,8-9,19H2,1H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-(4-methoxyphenyl)propan-2-amine?
1-(3-chloro-4-fluorophenyl)-3-(4-methoxyphenyl)propan-2-amine has a molecular weight of 293.77 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-(4-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 103039883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).