1-(3,4-dichlorophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine

C15H13Cl2F2NO — CID 29051450

IUPAC1-(3,4-dichlorophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine
SMILESFC(F)Oc1ccccc1CNCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl2F2NO/c16-12-6-5-10(7-13(12)17)8-20-9-11-3-1-2-4-14(11)21-15(18)19/h1-7,15,20H,8-9H2
InChIKeyMZBAVABMKOHNJP-UHFFFAOYSA-N
MW332.18 g/mol
LogP4.88
Rot. Bonds6

About 1-(3,4-dichlorophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine

1-(3,4-dichlorophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine (PubChem CID 29051450) has the molecular formula C15H13Cl2F2NO and a molecular weight of 332.18 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine
PubChem CID29051450
Molecular FormulaC15H13Cl2F2NO
Molecular Weight332.18 g/mol
Exact Mass331.03
IUPAC Name1-(3,4-dichlorophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine
SMILESFC(F)Oc1ccccc1CNCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl2F2NO/c16-12-6-5-10(7-13(12)17)8-20-9-11-3-1-2-4-14(11)21-15(18)19/h1-7,15,20H,8-9H2
InChIKeyMZBAVABMKOHNJP-UHFFFAOYSA-N
XLogP4.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.18
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-fluorophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine
CID 62537424
1-(4-bromo-2-chlorophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine
CID 115595287
4-chloro-2-[[[2-(difluoromethoxy)phenyl]methylamino]methyl]phenol
CID 29292740
1-(3,4-dichlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 60744348
1-(3,4-dichlorophenyl)-N-(naphthalen-1-ylmethyl)methanamine
CID 63478519
1-[2-(difluoromethoxy)phenyl]-N-[(2,3-dimethylphenyl)methyl]methanamine
CID 60711287
(2R)-1-[[2-(difluoromethoxy)phenyl]methylamino]propan-2-ol
CID 93033134
1-[2-(difluoromethoxy)phenyl]-N-[(5-nitrothiophen-3-yl)methyl]methanamine
CID 60811675
1-(2-chlorophenyl)-N-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]methanamine
CID 112772544
N-[(3-chloro-4-fluorophenyl)methyl]-2-(difluoromethoxy)aniline
CID 81143549
N-[(4,5-dibromofuran-2-yl)methyl]-1-[2-(difluoromethoxy)phenyl]methanamine
CID 62084106
1-(3-chloro-4-fluorophenyl)-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine
CID 62539411

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine (CID 29051450) is 1-(3,4-dichlorophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine is FC(F)Oc1ccccc1CNCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine?
The InChIKey is MZBAVABMKOHNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2F2NO/c16-12-6-5-10(7-13(12)17)8-20-9-11-3-1-2-4-14(11)21-15(18)19/h1-7,15,20H,8-9H2.
What are the key properties of 1-(3,4-dichlorophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine?
1-(3,4-dichlorophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine has a molecular weight of 332.18 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine is sourced from PubChem (CID 29051450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).