1-(4-chlorophenoxy)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine

C16H17ClFNO2 — CID 105122004

IUPAC1-(4-chlorophenoxy)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine
SMILESCOc1ccc(CC(N)COc2ccc(Cl)cc2)cc1F
InChIInChI=1S/C16H17ClFNO2/c1-20-16-7-2-11(9-15(16)18)8-13(19)10-21-14-5-3-12(17)4-6-14/h2-7,9,13H,8,10,19H2,1H3
InChIKeyKAKZSOIJCMROSJ-UHFFFAOYSA-N
MW309.77 g/mol
LogP3.44
Rot. Bonds6

About 1-(4-chlorophenoxy)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine

1-(4-chlorophenoxy)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine (PubChem CID 105122004) has the molecular formula C16H17ClFNO2 and a molecular weight of 309.77 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenoxy)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine
PubChem CID105122004
Molecular FormulaC16H17ClFNO2
Molecular Weight309.77 g/mol
Exact Mass309.09
IUPAC Name1-(4-chlorophenoxy)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine
SMILESCOc1ccc(CC(N)COc2ccc(Cl)cc2)cc1F
InChIInChI=1S/C16H17ClFNO2/c1-20-16-7-2-11(9-15(16)18)8-13(19)10-21-14-5-3-12(17)4-6-14/h2-7,9,13H,8,10,19H2,1H3
InChIKeyKAKZSOIJCMROSJ-UHFFFAOYSA-N
XLogP3.44
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-chlorophenoxy)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-amine
CID 62601628
1-(3-fluoro-4-methoxyphenyl)-3-propan-2-yloxypropan-2-amine
CID 105122103
1-(4-chlorophenoxy)-3-(4-ethylphenyl)propan-2-amine
CID 105101373
1-(2,6-dichlorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine
CID 62603392
1-(3-fluoro-4-methoxyphenyl)-4,4-dimethylpentan-2-amine
CID 63889804
1-(3-fluoro-4-methoxyphenyl)-3-pyridin-4-ylpropan-2-amine
CID 62605642
1-(3-fluoro-4-methoxyphenyl)-3-(3-methylphenyl)propan-2-amine
CID 62604498
1-(3-chloro-4-fluorophenyl)-3-(4-methoxyphenyl)propan-2-amine
CID 103039883
1-(3-fluoro-4-methoxyphenyl)-4-(4-methylphenyl)butan-2-amine
CID 105122506
1-(3-fluoro-4-methoxyphenyl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135677
1-(4-chloro-3-fluorophenyl)-3-methoxypropan-2-amine
CID 107884589
3-(3-fluoro-4-methoxyphenyl)-1,1-dimethoxypropan-2-amine
CID 79493441

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenoxy)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine?
The IUPAC name of 1-(4-chlorophenoxy)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine (CID 105122004) is 1-(4-chlorophenoxy)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(4-chlorophenoxy)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine?
The canonical SMILES for 1-(4-chlorophenoxy)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine is COc1ccc(CC(N)COc2ccc(Cl)cc2)cc1F.
What is the InChIKey of 1-(4-chlorophenoxy)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine?
The InChIKey is KAKZSOIJCMROSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO2/c1-20-16-7-2-11(9-15(16)18)8-13(19)10-21-14-5-3-12(17)4-6-14/h2-7,9,13H,8,10,19H2,1H3.
What are the key properties of 1-(4-chlorophenoxy)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine?
1-(4-chlorophenoxy)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine has a molecular weight of 309.77 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenoxy)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 105122004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).