1-(3-chloro-4-fluorophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine

C15H13ClF3NO — CID 62537424

IUPAC1-(3-chloro-4-fluorophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine
SMILESFc1ccc(CNCc2ccccc2OC(F)F)cc1Cl
InChIInChI=1S/C15H13ClF3NO/c16-12-7-10(5-6-13(12)17)8-20-9-11-3-1-2-4-14(11)21-15(18)19/h1-7,15,20H,8-9H2
InChIKeyHYFTYWZJWPWDDW-UHFFFAOYSA-N
MW315.72 g/mol
LogP4.37
Rot. Bonds6

About 1-(3-chloro-4-fluorophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine

1-(3-chloro-4-fluorophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine (PubChem CID 62537424) has the molecular formula C15H13ClF3NO and a molecular weight of 315.72 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine
PubChem CID62537424
Molecular FormulaC15H13ClF3NO
Molecular Weight315.72 g/mol
Exact Mass315.06
IUPAC Name1-(3-chloro-4-fluorophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine
SMILESFc1ccc(CNCc2ccccc2OC(F)F)cc1Cl
InChIInChI=1S/C15H13ClF3NO/c16-12-7-10(5-6-13(12)17)8-20-9-11-3-1-2-4-14(11)21-15(18)19/h1-7,15,20H,8-9H2
InChIKeyHYFTYWZJWPWDDW-UHFFFAOYSA-N
XLogP4.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.72
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine
CID 29051450
N-[(3-chloro-4-fluorophenyl)methyl]-2-(difluoromethoxy)aniline
CID 81143549
1-(3-chloro-4-fluorophenyl)-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine
CID 62539411
4-chloro-2-[[[2-(difluoromethoxy)phenyl]methylamino]methyl]phenol
CID 29292740
1-(4-bromo-2-chlorophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine
CID 115595287
1-(3-chloro-4-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 60615965
N-[(3-chloro-4-fluorophenyl)methyl]-3-(difluoromethoxy)aniline
CID 81145113
1-(3-chloro-4-fluorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanamine
CID 62537275
N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-chloro-4-methoxyphenyl)methanamine
CID 65021339
N-[(3-chloro-4-fluorophenyl)methyl]-1-(3,4-dimethoxyphenyl)methanamine
CID 60615931
1-[2-(difluoromethoxy)phenyl]-N-[(2,3-dimethylphenyl)methyl]methanamine
CID 60711287
1-[[2-(difluoromethoxy)phenyl]methyl]-3-[(4-fluoro-3-methylphenyl)methyl]-2-methylguanidine
CID 111853180

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine (CID 62537424) is 1-(3-chloro-4-fluorophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine is Fc1ccc(CNCc2ccccc2OC(F)F)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine?
The InChIKey is HYFTYWZJWPWDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NO/c16-12-7-10(5-6-13(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-chloro-4-fluorophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine?
1-(3-chloro-4-fluorophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine has a molecular weight of 315.72 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine is sourced from PubChem (CID 62537424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).