2-(3-chloro-4-propylphenyl)-2-fluoro-N-methylpropan-1-amine

C13H19ClFN — CID 105424649

IUPAC2-(3-chloro-4-propylphenyl)-2-fluoro-N-methylpropan-1-amine
SMILESCCCc1ccc(C(C)(F)CNC)cc1Cl
InChIInChI=1S/C13H19ClFN/c1-4-5-10-6-7-11(8-12(10)14)13(2,15)9-16-3/h6-8,16H,4-5,9H2,1-3H3
InChIKeyIYDQCBMGLZITNK-UHFFFAOYSA-N
MW243.75 g/mol
LogP3.70
Rot. Bonds5

About 2-(3-chloro-4-propylphenyl)-2-fluoro-N-methylpropan-1-amine

2-(3-chloro-4-propylphenyl)-2-fluoro-N-methylpropan-1-amine (PubChem CID 105424649) has the molecular formula C13H19ClFN and a molecular weight of 243.75 g/mol. Its IUPAC name is 2-(3-chloro-4-propylphenyl)-2-fluoro-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-(3-chloro-4-propylphenyl)-2-fluoro-N-methylpropan-1-amine
PubChem CID105424649
Molecular FormulaC13H19ClFN
Molecular Weight243.75 g/mol
Exact Mass243.12
IUPAC Name2-(3-chloro-4-propylphenyl)-2-fluoro-N-methylpropan-1-amine
SMILESCCCc1ccc(C(C)(F)CNC)cc1Cl
InChIInChI=1S/C13H19ClFN/c1-4-5-10-6-7-11(8-12(10)14)13(2,15)9-16-3/h6-8,16H,4-5,9H2,1-3H3
InChIKeyIYDQCBMGLZITNK-UHFFFAOYSA-N
XLogP3.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.75
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chloro-4-propan-2-ylphenyl)-2-fluoro-N-methylpropan-1-amine
CID 105424771
2-(3-chloro-4-propylphenyl)-2,2-difluoroethanol
CID 105425063
2-fluoro-N-methyl-2-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 105495770
2-(3,4-dimethoxyphenyl)-2-fluoro-N-methylpropan-1-amine
CID 105424304
2-(4-tert-butyl-3-chlorophenyl)-2,2-difluoro-N-methylethanamine
CID 105424776
3-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]propanal
CID 117329588
2-chloro-1-ethyl-4-(trifluoromethyl)benzene;ethane
CID 144611727
2-(3-chloro-4-methylphenyl)-N,2-dimethylpropan-1-amine
CID 83703366
5-[2-fluoro-1-(methylamino)propan-2-yl]-2-methoxyphenol
CID 105425995
2-(3-chloro-4-methylsulfanylphenyl)-N,2-dimethylpropan-1-amine
CID 105424576
2-[(2-chloro-4-fluorophenyl)methyl]-N,2-dimethylbutan-1-amine
CID 62725874
4-(2-chloro-4-methoxyphenyl)-N,2,2-trimethylbutan-1-amine
CID 65306448

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-propylphenyl)-2-fluoro-N-methylpropan-1-amine?
The IUPAC name of 2-(3-chloro-4-propylphenyl)-2-fluoro-N-methylpropan-1-amine (CID 105424649) is 2-(3-chloro-4-propylphenyl)-2-fluoro-N-methylpropan-1-amine.
What is the SMILES notation for 2-(3-chloro-4-propylphenyl)-2-fluoro-N-methylpropan-1-amine?
The canonical SMILES for 2-(3-chloro-4-propylphenyl)-2-fluoro-N-methylpropan-1-amine is CCCc1ccc(C(C)(F)CNC)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-propylphenyl)-2-fluoro-N-methylpropan-1-amine?
The InChIKey is IYDQCBMGLZITNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClFN/c1-4-5-10-6-7-11(8-12(10)14)13(2,15)9-16-3/h6-8,16H,4-5,9H2,1-3H3.
What are the key properties of 2-(3-chloro-4-propylphenyl)-2-fluoro-N-methylpropan-1-amine?
2-(3-chloro-4-propylphenyl)-2-fluoro-N-methylpropan-1-amine has a molecular weight of 243.75 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-propylphenyl)-2-fluoro-N-methylpropan-1-amine is sourced from PubChem (CID 105424649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).