1-(3-chlorophenyl)-1-[4-(difluoromethoxy)phenyl]-N-methylmethanamine

C15H14ClF2NO — CID 115811779

IUPAC1-(3-chlorophenyl)-1-[4-(difluoromethoxy)phenyl]-N-methylmethanamine
SMILESCNC(c1ccc(OC(F)F)cc1)c1cccc(Cl)c1
InChIInChI=1S/C15H14ClF2NO/c1-19-14(11-3-2-4-12(16)9-11)10-5-7-13(8-6-10)20-15(17)18/h2-9,14-15,19H,1H3
InChIKeyGWTKEZHVASAQNT-UHFFFAOYSA-N
MW297.73 g/mol
LogP4.25
Rot. Bonds5

About 1-(3-chlorophenyl)-1-[4-(difluoromethoxy)phenyl]-N-methylmethanamine

1-(3-chlorophenyl)-1-[4-(difluoromethoxy)phenyl]-N-methylmethanamine (PubChem CID 115811779) has the molecular formula C15H14ClF2NO and a molecular weight of 297.73 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-1-[4-(difluoromethoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-1-[4-(difluoromethoxy)phenyl]-N-methylmethanamine
PubChem CID115811779
Molecular FormulaC15H14ClF2NO
Molecular Weight297.73 g/mol
Exact Mass297.07
IUPAC Name1-(3-chlorophenyl)-1-[4-(difluoromethoxy)phenyl]-N-methylmethanamine
SMILESCNC(c1ccc(OC(F)F)cc1)c1cccc(Cl)c1
InChIInChI=1S/C15H14ClF2NO/c1-19-14(11-3-2-4-12(16)9-11)10-5-7-13(8-6-10)20-15(17)18/h2-9,14-15,19H,1H3
InChIKeyGWTKEZHVASAQNT-UHFFFAOYSA-N
XLogP4.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.73
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 115811785
1-[4-(difluoromethoxy)phenyl]-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018726
1-(4-chloro-2-fluorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 105022622
1-(3-chlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 62795601
1-(3-chloro-4-methoxyphenyl)-1-(3-chlorophenyl)-N-methylmethanamine
CID 43480965
(1R)-1-(3-chlorophenyl)-N-[[4-(difluoromethoxy)phenyl]methyl]ethanamine
CID 29031162
3-chloro-N-[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]benzamide
CID 25440599
1-[4-(difluoromethoxy)phenyl]-1-(4-ethylphenyl)-N-methylmethanamine
CID 43484649
1-(3,5-dichlorophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
CID 105019086
1-(3-chloro-4-fluorophenyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine
CID 63088821
1-(3-chlorophenyl)-1-[4-(2-methoxyethyl)phenyl]-N-methylmethanamine
CID 43482400
1-(3-chloro-5-methylphenyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine
CID 81316261

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-1-[4-(difluoromethoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-(3-chlorophenyl)-1-[4-(difluoromethoxy)phenyl]-N-methylmethanamine (CID 115811779) is 1-(3-chlorophenyl)-1-[4-(difluoromethoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-1-[4-(difluoromethoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-(3-chlorophenyl)-1-[4-(difluoromethoxy)phenyl]-N-methylmethanamine is CNC(c1ccc(OC(F)F)cc1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-1-[4-(difluoromethoxy)phenyl]-N-methylmethanamine?
The InChIKey is GWTKEZHVASAQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NO/c1-19-14(11-3-2-4-12(16)9-11)10-5-7-13(8-6-10)20-15(17)18/h2-9,14-15,19H,1H3.
What are the key properties of 1-(3-chlorophenyl)-1-[4-(difluoromethoxy)phenyl]-N-methylmethanamine?
1-(3-chlorophenyl)-1-[4-(difluoromethoxy)phenyl]-N-methylmethanamine has a molecular weight of 297.73 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-1-[4-(difluoromethoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 115811779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).