1-(3-chloro-4-fluorophenyl)-N-methylpentan-2-amine

C12H17ClFN — CID 103039854

IUPAC1-(3-chloro-4-fluorophenyl)-N-methylpentan-2-amine
SMILESCCCC(Cc1ccc(F)c(Cl)c1)NC
InChIInChI=1S/C12H17ClFN/c1-3-4-10(15-2)7-9-5-6-12(14)11(13)8-9/h5-6,8,10,15H,3-4,7H2,1-2H3
InChIKeyFDQRJUCGRDGZQT-UHFFFAOYSA-N
MW229.73 g/mol
LogP3.41
Rot. Bonds5

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

1-(3-chloro-4-fluorophenyl)-N-methylpentan-2-amine (PubChem CID 103039854) has the molecular formula C12H17ClFN and a molecular weight of 229.73 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-N-methylpentan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-N-methylpentan-2-amine
PubChem CID103039854
Molecular FormulaC12H17ClFN
Molecular Weight229.73 g/mol
Exact Mass229.10
IUPAC Name1-(3-chloro-4-fluorophenyl)-N-methylpentan-2-amine
SMILESCCCC(Cc1ccc(F)c(Cl)c1)NC
InChIInChI=1S/C12H17ClFN/c1-3-4-10(15-2)7-9-5-6-12(14)11(13)8-9/h5-6,8,10,15H,3-4,7H2,1-2H3
InChIKeyFDQRJUCGRDGZQT-UHFFFAOYSA-N
XLogP3.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.73
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-4-fluorophenyl)-N-methyl-4-methylsulfanylbutan-2-amine
CID 103043196
1-(3-chloro-4-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 103039975
1-(3-chloro-4-fluorophenyl)-N-methyl-4-(2-methylphenyl)butan-2-amine
CID 103042950
1-(3-chloro-4-fluorophenyl)pentan-2-amine
CID 103039784
1-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)-N-methylpropan-2-amine
CID 103039859
1-(3-chloro-4-fluorophenyl)heptan-2-ylhydrazine
CID 103044391
1-(3-chloro-4-fluorophenyl)-N-ethylnonan-2-amine
CID 103043062
2-[(3-chloro-4-fluorophenyl)methyl]pentan-1-ol
CID 103041973
1-(4-chloro-3-fluorophenyl)-3-(3,4-dichlorophenyl)-N-methylpropan-2-amine
CID 107884629
2-(3-chloro-4-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 103039760
1-(3,4-dichlorophenyl)-N-methylnonan-2-amine
CID 55186629
1-(3-chloro-4-fluorophenyl)-3-(1,1-dioxothiolan-3-yl)-N-methylpropan-2-amine
CID 103043029

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-methylpentan-2-amine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-methylpentan-2-amine (CID 103039854) is 1-(3-chloro-4-fluorophenyl)-N-methylpentan-2-amine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-N-methylpentan-2-amine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-N-methylpentan-2-amine is CCCC(Cc1ccc(F)c(Cl)c1)NC.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-N-methylpentan-2-amine?
The InChIKey is FDQRJUCGRDGZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFN/c1-3-4-10(15-2)7-9-5-6-12(14)11(13)8-9/h5-6,8,10,15H,3-4,7H2,1-2H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-N-methylpentan-2-amine?
1-(3-chloro-4-fluorophenyl)-N-methylpentan-2-amine has a molecular weight of 229.73 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-N-methylpentan-2-amine is sourced from PubChem (CID 103039854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).