1-(2,6-dichlorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine

C16H16Cl2FNO — CID 62603392

IUPAC1-(2,6-dichlorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine
SMILESCOc1ccc(CC(N)Cc2c(Cl)cccc2Cl)cc1F
InChIInChI=1S/C16H16Cl2FNO/c1-21-16-6-5-10(8-15(16)19)7-11(20)9-12-13(17)3-2-4-14(12)18/h2-6,8,11H,7,9,20H2,1H3
InChIKeyLWKRKKLCMMUSKD-UHFFFAOYSA-N
MW328.21 g/mol
LogP4.25
Rot. Bonds5

About 1-(2,6-dichlorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine

1-(2,6-dichlorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine (PubChem CID 62603392) has the molecular formula C16H16Cl2FNO and a molecular weight of 328.21 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine
PubChem CID62603392
Molecular FormulaC16H16Cl2FNO
Molecular Weight328.21 g/mol
Exact Mass327.06
IUPAC Name1-(2,6-dichlorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine
SMILESCOc1ccc(CC(N)Cc2c(Cl)cccc2Cl)cc1F
InChIInChI=1S/C16H16Cl2FNO/c1-21-16-6-5-10(8-15(16)19)7-11(20)9-12-13(17)3-2-4-14(12)18/h2-6,8,11H,7,9,20H2,1H3
InChIKeyLWKRKKLCMMUSKD-UHFFFAOYSA-N
XLogP4.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-3-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-amine
CID 107884616
1-(2,3-dichlorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115829955
1-(3-fluoro-4-methoxyphenyl)-3-(3-methylphenyl)propan-2-amine
CID 62604498
1-(2-chloro-6-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 63022137
1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-amine
CID 62601628
1-(2-chloro-6-fluorophenyl)-3-(3,4-dimethylphenyl)propan-2-amine
CID 62899971
1-(3-fluoro-4-methoxyphenyl)-3-pyridin-4-ylpropan-2-amine
CID 62605642
1-(4-chlorophenoxy)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine
CID 105122004
2-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]propan-1-ol
CID 170892579
1-(3-fluoro-4-methoxyphenyl)-5-phenylpentan-2-amine
CID 105122085
1-(3-fluoro-4-methoxyphenyl)-3-thiophen-2-ylpropan-2-amine
CID 62603614
1-(3-fluoro-4-methoxyphenyl)-4,4-dimethylpentan-2-amine
CID 63889804

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine?
The IUPAC name of 1-(2,6-dichlorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine (CID 62603392) is 1-(2,6-dichlorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine?
The canonical SMILES for 1-(2,6-dichlorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine is COc1ccc(CC(N)Cc2c(Cl)cccc2Cl)cc1F.
What is the InChIKey of 1-(2,6-dichlorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine?
The InChIKey is LWKRKKLCMMUSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2FNO/c1-21-16-6-5-10(8-15(16)19)7-11(20)9-12-13(17)3-2-4-14(12)18/h2-6,8,11H,7,9,20H2,1H3.
What are the key properties of 1-(2,6-dichlorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine?
1-(2,6-dichlorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine has a molecular weight of 328.21 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 62603392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).