2-chloro-2,2-difluoro-N-[(4-methylphenyl)methyl]ethanamine

C10H12ClF2N — CID 23656680

IUPAC2-chloro-2,2-difluoro-N-[(4-methylphenyl)methyl]ethanamine
SMILESCc1ccc(CNCC(F)(F)Cl)cc1
InChIInChI=1S/C10H12ClF2N/c1-8-2-4-9(5-3-8)6-14-7-10(11,12)13/h2-5,14H,6-7H2,1H3
InChIKeyNMAFOKYNWLBNCN-UHFFFAOYSA-N
MW219.66 g/mol
LogP2.92
Rot. Bonds4

About 2-chloro-2,2-difluoro-N-[(4-methylphenyl)methyl]ethanamine

2-chloro-2,2-difluoro-N-[(4-methylphenyl)methyl]ethanamine (PubChem CID 23656680) has the molecular formula C10H12ClF2N and a molecular weight of 219.66 g/mol. Its IUPAC name is 2-chloro-2,2-difluoro-N-[(4-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-chloro-2,2-difluoro-N-[(4-methylphenyl)methyl]ethanamine
PubChem CID23656680
Molecular FormulaC10H12ClF2N
Molecular Weight219.66 g/mol
Exact Mass219.06
IUPAC Name2-chloro-2,2-difluoro-N-[(4-methylphenyl)methyl]ethanamine
SMILESCc1ccc(CNCC(F)(F)Cl)cc1
InChIInChI=1S/C10H12ClF2N/c1-8-2-4-9(5-3-8)6-14-7-10(11,12)13/h2-5,14H,6-7H2,1H3
InChIKeyNMAFOKYNWLBNCN-UHFFFAOYSA-N
XLogP2.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.66
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-chloro-2,2-difluoro-N-[(4-methylphenyl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methylphenyl)-N-[[4-(4-methylphenyl)phenyl]methyl]methanamine
CID 171059943
(1S)-1-(4-fluorophenyl)-2-[(4-methylphenyl)methylamino]-1-phenylethanol
CID 7036964
1-(4-methylphenyl)-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]methanamine
CID 29273379
N-[(4-methylphenyl)methyl]ethanamine
CID 4716476
2-ethyl-2-[[(4-methylphenyl)methylamino]methyl]butan-1-ol
CID 81411904
dichloro(difluoro)methane;1,4-xylene
CID 161479390
N-[(4-methylphenyl)methyl]-2-(1,1,2,2,2-pentafluoroethylsulfanyl)ethanamine
CID 75530228
4,4-dimethyl-5-[(4-methylphenyl)methylamino]pentan-1-ol
CID 103897567
N-[(4-ethenylphenyl)methyl]-1-(4-methylphenyl)methanamine
CID 143022866
1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine;hydrochloride
CID 17332531
2-[(4-methylphenyl)methylamino]ethanethiol
CID 14306202
2,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 61166216

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2,2-difluoro-N-[(4-methylphenyl)methyl]ethanamine?
The IUPAC name of 2-chloro-2,2-difluoro-N-[(4-methylphenyl)methyl]ethanamine (CID 23656680) is 2-chloro-2,2-difluoro-N-[(4-methylphenyl)methyl]ethanamine.
What is the SMILES notation for 2-chloro-2,2-difluoro-N-[(4-methylphenyl)methyl]ethanamine?
The canonical SMILES for 2-chloro-2,2-difluoro-N-[(4-methylphenyl)methyl]ethanamine is Cc1ccc(CNCC(F)(F)Cl)cc1.
What is the InChIKey of 2-chloro-2,2-difluoro-N-[(4-methylphenyl)methyl]ethanamine?
The InChIKey is NMAFOKYNWLBNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF2N/c1-8-2-4-9(5-3-8)6-14-7-10(11,12)13/h2-5,14H,6-7H2,1H3.
What are the key properties of 2-chloro-2,2-difluoro-N-[(4-methylphenyl)methyl]ethanamine?
2-chloro-2,2-difluoro-N-[(4-methylphenyl)methyl]ethanamine has a molecular weight of 219.66 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2,2-difluoro-N-[(4-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 23656680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).