1-[5-chloro-2-(difluoromethoxy)phenyl]-N-methylmethanamine

C9H10ClF2NO — CID 43214102

IUPAC1-[5-chloro-2-(difluoromethoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C9H10ClF2NO/c1-13-5-6-4-7(10)2-3-8(6)14-9(11)12/h2-4,9,13H,5H2,1H3
InChIKeyNRPPDNKLIQJWEI-UHFFFAOYSA-N
MW221.63 g/mol
LogP2.66
Rot. Bonds4

About 1-[5-chloro-2-(difluoromethoxy)phenyl]-N-methylmethanamine

1-[5-chloro-2-(difluoromethoxy)phenyl]-N-methylmethanamine (PubChem CID 43214102) has the molecular formula C9H10ClF2NO and a molecular weight of 221.63 g/mol. Its IUPAC name is 1-[5-chloro-2-(difluoromethoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-(difluoromethoxy)phenyl]-N-methylmethanamine
PubChem CID43214102
Molecular FormulaC9H10ClF2NO
Molecular Weight221.63 g/mol
Exact Mass221.04
IUPAC Name1-[5-chloro-2-(difluoromethoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C9H10ClF2NO/c1-13-5-6-4-7(10)2-3-8(6)14-9(11)12/h2-4,9,13H,5H2,1H3
InChIKeyNRPPDNKLIQJWEI-UHFFFAOYSA-N
XLogP2.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.63
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[5-chloro-2-(difluoromethoxy)phenyl]-N-methylmethanamine 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-[2-(difluoromethoxy)-5-methylphenyl]-N-methylmethanamine
CID 63323622
1-[5-chloro-2-(difluoromethoxy)phenyl]-N-(2-methoxyethoxy)methanamine
CID 82715328
1-[5-chloro-2-(difluoromethoxy)phenyl]-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82719785
2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]ethanol
CID 43424974
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylbutan-1-amine
CID 43234453
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-5-methylhexan-1-amine
CID 115325198
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-methylbutan-1-amine
CID 62693915
2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]-N-methylpropanamide
CID 61464183
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-4-fluoro-3-methylaniline
CID 63478583
2-chloro-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]prop-2-en-1-amine
CID 115702536
2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-methylpropanamide
CID 43277867
2-bromo-5-chloro-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]aniline
CID 81268813

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(difluoromethoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[5-chloro-2-(difluoromethoxy)phenyl]-N-methylmethanamine (CID 43214102) is 1-[5-chloro-2-(difluoromethoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-chloro-2-(difluoromethoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-chloro-2-(difluoromethoxy)phenyl]-N-methylmethanamine is CNCc1cc(Cl)ccc1OC(F)F.
What is the InChIKey of 1-[5-chloro-2-(difluoromethoxy)phenyl]-N-methylmethanamine?
The InChIKey is NRPPDNKLIQJWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF2NO/c1-13-5-6-4-7(10)2-3-8(6)14-9(11)12/h2-4,9,13H,5H2,1H3.
What are the key properties of 1-[5-chloro-2-(difluoromethoxy)phenyl]-N-methylmethanamine?
1-[5-chloro-2-(difluoromethoxy)phenyl]-N-methylmethanamine has a molecular weight of 221.63 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(difluoromethoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 43214102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).