1-(2-chlorophenyl)-N-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]methanamine

C17H18ClF2NO — CID 112772544

IUPAC1-(2-chlorophenyl)-N-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]methanamine
SMILESCc1cc(CNCc2ccccc2Cl)cc(C)c1OC(F)F
InChIInChI=1S/C17H18ClF2NO/c1-11-7-13(8-12(2)16(11)22-17(19)20)9-21-10-14-5-3-4-6-15(14)18/h3-8,17,21H,9-10H2,1-2H3
InChIKeyRFEDAGPNBAEKGY-UHFFFAOYSA-N
MW325.79 g/mol
LogP4.85
Rot. Bonds6

About 1-(2-chlorophenyl)-N-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]methanamine

1-(2-chlorophenyl)-N-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]methanamine (PubChem CID 112772544) has the molecular formula C17H18ClF2NO and a molecular weight of 325.79 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]methanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]methanamine
PubChem CID112772544
Molecular FormulaC17H18ClF2NO
Molecular Weight325.79 g/mol
Exact Mass325.10
IUPAC Name1-(2-chlorophenyl)-N-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]methanamine
SMILESCc1cc(CNCc2ccccc2Cl)cc(C)c1OC(F)F
InChIInChI=1S/C17H18ClF2NO/c1-11-7-13(8-12(2)16(11)22-17(19)20)9-21-10-14-5-3-4-6-15(14)18/h3-8,17,21H,9-10H2,1-2H3
InChIKeyRFEDAGPNBAEKGY-UHFFFAOYSA-N
XLogP4.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.79
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-chlorophenyl)-N-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]methanamine 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

N-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]-1-[3-(difluoromethoxy)-4-methoxyphenyl]methanamine
CID 78870383
1-(3,4-dichlorophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine
CID 29051450
1-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methylamino]-2-(furan-2-yl)propan-2-ol
CID 111468736
1-(3-chloro-4-fluorophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine
CID 62537424
1-[6-(azepan-1-yl)-3-pyridinyl]-N-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]methanamine
CID 78881838
1-(4-bromo-2-chlorophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine
CID 115595287
N-[(2-chlorophenyl)methyl]-1-(4-methyl-3-nitrophenyl)methanamine
CID 43222892
1-(2-chlorophenyl)-N-[(2,4,5-trifluorophenyl)methyl]methanamine
CID 103792288
N-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 78860870
[(2-chlorophenyl)methylamino]methanethiol
CID 88942802
2-bromo-4-[[(2-chlorophenyl)methylamino]methyl]-6-methoxyphenol
CID 29292955
1-[2-(difluoromethoxy)phenyl]-N-[(2,3-dimethylphenyl)methyl]methanamine
CID 60711287

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]methanamine?
The IUPAC name of 1-(2-chlorophenyl)-N-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]methanamine (CID 112772544) is 1-(2-chlorophenyl)-N-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]methanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]methanamine?
The canonical SMILES for 1-(2-chlorophenyl)-N-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]methanamine is Cc1cc(CNCc2ccccc2Cl)cc(C)c1OC(F)F.
What is the InChIKey of 1-(2-chlorophenyl)-N-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]methanamine?
The InChIKey is RFEDAGPNBAEKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClF2NO/c1-11-7-13(8-12(2)16(11)22-17(19)20)9-21-10-14-5-3-4-6-15(14)18/h3-8,17,21H,9-10H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-N-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]methanamine?
1-(2-chlorophenyl)-N-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]methanamine has a molecular weight of 325.79 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]methanamine is sourced from PubChem (CID 112772544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).