1-(2-chlorophenyl)-1-fluoro-N-methylpropan-2-amine

C10H13ClFN — CID 105454019

IUPAC1-(2-chlorophenyl)-1-fluoro-N-methylpropan-2-amine
SMILESCNC(C)C(F)c1ccccc1Cl
InChIInChI=1S/C10H13ClFN/c1-7(13-2)10(12)8-5-3-4-6-9(8)11/h3-7,10,13H,1-2H3
InChIKeyUHLZUNBKJGSKTG-UHFFFAOYSA-N
MW201.67 g/mol
LogP2.96
Rot. Bonds3

About 1-(2-chlorophenyl)-1-fluoro-N-methylpropan-2-amine

1-(2-chlorophenyl)-1-fluoro-N-methylpropan-2-amine (PubChem CID 105454019) has the molecular formula C10H13ClFN and a molecular weight of 201.67 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-1-fluoro-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-1-fluoro-N-methylpropan-2-amine
PubChem CID105454019
Molecular FormulaC10H13ClFN
Molecular Weight201.67 g/mol
Exact Mass201.07
IUPAC Name1-(2-chlorophenyl)-1-fluoro-N-methylpropan-2-amine
SMILESCNC(C)C(F)c1ccccc1Cl
InChIInChI=1S/C10H13ClFN/c1-7(13-2)10(12)8-5-3-4-6-9(8)11/h3-7,10,13H,1-2H3
InChIKeyUHLZUNBKJGSKTG-UHFFFAOYSA-N
XLogP2.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.67
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(2-chlorophenyl)-N-methylethanamine
CID 30073865
3-(2-chlorophenyl)-3-fluoro-2-methylpropan-1-amine
CID 105454000
N-[(1R)-1-(2-chlorophenyl)ethyl]-2,2-difluoroethanamine
CID 81378188
1-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 64714352
1-(2-chlorophenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 55110975
1-(2-chlorophenyl)ethylazanium chloride
CID 160644474
1-(2-chlorophenyl)-N-methylbutan-1-amine
CID 61030154
(2R)-2-(2-chlorophenyl)-2-(methylamino)acetic acid
CID 51886753
1-(2-chlorophenyl)-1-fluoropropan-2-one
CID 105442385
1-(2-chlorophenyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 55125063
1-(2-chlorophenyl)-N-methylbut-3-yn-1-amine
CID 62233713
(1S)-1-(3-chloro-2-methylphenyl)-N-methylethanamine
CID 96656380

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-1-fluoro-N-methylpropan-2-amine?
The IUPAC name of 1-(2-chlorophenyl)-1-fluoro-N-methylpropan-2-amine (CID 105454019) is 1-(2-chlorophenyl)-1-fluoro-N-methylpropan-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-1-fluoro-N-methylpropan-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)-1-fluoro-N-methylpropan-2-amine is CNC(C)C(F)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-1-fluoro-N-methylpropan-2-amine?
The InChIKey is UHLZUNBKJGSKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFN/c1-7(13-2)10(12)8-5-3-4-6-9(8)11/h3-7,10,13H,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-1-fluoro-N-methylpropan-2-amine?
1-(2-chlorophenyl)-1-fluoro-N-methylpropan-2-amine has a molecular weight of 201.67 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-1-fluoro-N-methylpropan-2-amine is sourced from PubChem (CID 105454019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).