1-(4-chloro-2-fluorophenyl)-3-(3-chlorophenoxy)-N-methylpropan-2-amine

C16H16Cl2FNO — CID 105190357

IUPAC1-(4-chloro-2-fluorophenyl)-3-(3-chlorophenoxy)-N-methylpropan-2-amine
SMILESCNC(COc1cccc(Cl)c1)Cc1ccc(Cl)cc1F
InChIInChI=1S/C16H16Cl2FNO/c1-20-14(7-11-5-6-13(18)9-16(11)19)10-21-15-4-2-3-12(17)8-15/h2-6,8-9,14,20H,7,10H2,1H3
InChIKeyKMYCFADCQSOTMT-UHFFFAOYSA-N
MW328.21 g/mol
LogP4.34
Rot. Bonds6

About 1-(4-chloro-2-fluorophenyl)-3-(3-chlorophenoxy)-N-methylpropan-2-amine

1-(4-chloro-2-fluorophenyl)-3-(3-chlorophenoxy)-N-methylpropan-2-amine (PubChem CID 105190357) has the molecular formula C16H16Cl2FNO and a molecular weight of 328.21 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-3-(3-chlorophenoxy)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-3-(3-chlorophenoxy)-N-methylpropan-2-amine
PubChem CID105190357
Molecular FormulaC16H16Cl2FNO
Molecular Weight328.21 g/mol
Exact Mass327.06
IUPAC Name1-(4-chloro-2-fluorophenyl)-3-(3-chlorophenoxy)-N-methylpropan-2-amine
SMILESCNC(COc1cccc(Cl)c1)Cc1ccc(Cl)cc1F
InChIInChI=1S/C16H16Cl2FNO/c1-20-14(7-11-5-6-13(18)9-16(11)19)10-21-15-4-2-3-12(17)8-15/h2-6,8-9,14,20H,7,10H2,1H3
InChIKeyKMYCFADCQSOTMT-UHFFFAOYSA-N
XLogP4.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-fluorophenyl)-3-(3-chlorophenoxy)-N-methylpropan-2-amine
CID 105137093
1-(3-chlorophenoxy)-N-methyl-3-phenylpropan-2-amine
CID 105084372
1-(3-chlorophenoxy)-3-methoxy-N-methylpropan-2-amine
CID 105165517
1-(3-chlorophenoxy)-3-(3,5-dimethylphenyl)-N-methylpropan-2-amine
CID 105098748
1-(3-chlorophenoxy)-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 105088402
1-(3-chlorophenoxy)-3-(furan-2-yl)-N-methylpropan-2-amine
CID 105177249
1-(3-chlorophenoxy)-N,5,5-trimethylhexan-2-amine
CID 105139931
1-(4-chloro-2-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 114855536
1-(4-chloro-2-fluorophenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine
CID 114855478
1-(3-chlorophenoxy)-N-methylpropan-2-amine
CID 112692970
2-(4-chloro-2-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 114855171
1-(3-chlorophenoxy)-N,3-dimethylbutan-2-amine
CID 105077820

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-(3-chlorophenoxy)-N-methylpropan-2-amine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-(3-chlorophenoxy)-N-methylpropan-2-amine (CID 105190357) is 1-(4-chloro-2-fluorophenyl)-3-(3-chlorophenoxy)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-3-(3-chlorophenoxy)-N-methylpropan-2-amine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-3-(3-chlorophenoxy)-N-methylpropan-2-amine is CNC(COc1cccc(Cl)c1)Cc1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-3-(3-chlorophenoxy)-N-methylpropan-2-amine?
The InChIKey is KMYCFADCQSOTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2FNO/c1-20-14(7-11-5-6-13(18)9-16(11)19)10-21-15-4-2-3-12(17)8-15/h2-6,8-9,14,20H,7,10H2,1H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-3-(3-chlorophenoxy)-N-methylpropan-2-amine?
1-(4-chloro-2-fluorophenyl)-3-(3-chlorophenoxy)-N-methylpropan-2-amine has a molecular weight of 328.21 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-3-(3-chlorophenoxy)-N-methylpropan-2-amine is sourced from PubChem (CID 105190357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).