2-[(2-chlorophenyl)methyl]-3-fluoro-2-methylpropan-1-amine

C11H15ClFN — CID 84723815

IUPAC2-[(2-chlorophenyl)methyl]-3-fluoro-2-methylpropan-1-amine
SMILESCC(CN)(CF)Cc1ccccc1Cl
InChIInChI=1S/C11H15ClFN/c1-11(7-13,8-14)6-9-4-2-3-5-10(9)12/h2-5H,6-8,14H2,1H3
InChIKeyIYOKXSXEDQCOMO-UHFFFAOYSA-N
MW215.70 g/mol
LogP2.82
Rot. Bonds4

About 2-[(2-chlorophenyl)methyl]-3-fluoro-2-methylpropan-1-amine

2-[(2-chlorophenyl)methyl]-3-fluoro-2-methylpropan-1-amine (PubChem CID 84723815) has the molecular formula C11H15ClFN and a molecular weight of 215.70 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-3-fluoro-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-3-fluoro-2-methylpropan-1-amine
PubChem CID84723815
Molecular FormulaC11H15ClFN
Molecular Weight215.70 g/mol
Exact Mass215.09
IUPAC Name2-[(2-chlorophenyl)methyl]-3-fluoro-2-methylpropan-1-amine
SMILESCC(CN)(CF)Cc1ccccc1Cl
InChIInChI=1S/C11H15ClFN/c1-11(7-13,8-14)6-9-4-2-3-5-10(9)12/h2-5H,6-8,14H2,1H3
InChIKeyIYOKXSXEDQCOMO-UHFFFAOYSA-N
XLogP2.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.70
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-bromo-2-(bromomethyl)-2-methylpropyl]-2-chlorobenzene
CID 79452940
2-[(2-chlorophenyl)methyl]-2-methylbutan-1-ol
CID 66060666
2-[(2-fluorophenyl)methyl]-2-methylbutan-1-amine
CID 62725307
2-N-[(2-chlorophenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
CID 28759320
2-(2-chlorophenyl)-1,1-difluoroethanamine;hydrochloride
CID 67811893
2-(azetidin-1-yl)-3-(2-chlorophenyl)-2-methylpropan-1-amine
CID 84727871
1-(2-chlorophenyl)-2-(2-fluorophenyl)propan-2-amine
CID 60797963
N'-[(2-chlorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
CID 119928722
2-[(2-chlorophenyl)methyl]-2-methyl-N-propylbutan-1-amine
CID 63509342
1-(2-chlorophenyl)-2-(2-methylphenyl)propan-2-amine
CID 54919292
2-(aminomethyl)-2-[(2-chlorophenyl)methyl]pentan-1-ol
CID 106506462
2-(azepan-1-yl)-1-(2-chlorophenyl)propan-2-amine
CID 84752536

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-3-fluoro-2-methylpropan-1-amine?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-3-fluoro-2-methylpropan-1-amine (CID 84723815) is 2-[(2-chlorophenyl)methyl]-3-fluoro-2-methylpropan-1-amine.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-3-fluoro-2-methylpropan-1-amine?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-3-fluoro-2-methylpropan-1-amine is CC(CN)(CF)Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-3-fluoro-2-methylpropan-1-amine?
The InChIKey is IYOKXSXEDQCOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFN/c1-11(7-13,8-14)6-9-4-2-3-5-10(9)12/h2-5H,6-8,14H2,1H3.
What are the key properties of 2-[(2-chlorophenyl)methyl]-3-fluoro-2-methylpropan-1-amine?
2-[(2-chlorophenyl)methyl]-3-fluoro-2-methylpropan-1-amine has a molecular weight of 215.70 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-3-fluoro-2-methylpropan-1-amine is sourced from PubChem (CID 84723815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).