1-(4-chloro-2-fluorophenyl)-1-(3-fluorophenyl)-N-methylmethanamine

C14H12ClF2N — CID 63081255

IUPAC1-(4-chloro-2-fluorophenyl)-1-(3-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(F)c1)c1ccc(Cl)cc1F
InChIInChI=1S/C14H12ClF2N/c1-18-14(9-3-2-4-11(16)7-9)12-6-5-10(15)8-13(12)17/h2-8,14,18H,1H3
InChIKeyCBHGRHKPDMNEMJ-UHFFFAOYSA-N
MW267.71 g/mol
LogP3.93
Rot. Bonds3

About 1-(4-chloro-2-fluorophenyl)-1-(3-fluorophenyl)-N-methylmethanamine

1-(4-chloro-2-fluorophenyl)-1-(3-fluorophenyl)-N-methylmethanamine (PubChem CID 63081255) has the molecular formula C14H12ClF2N and a molecular weight of 267.71 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-1-(3-fluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-1-(3-fluorophenyl)-N-methylmethanamine
PubChem CID63081255
Molecular FormulaC14H12ClF2N
Molecular Weight267.71 g/mol
Exact Mass267.06
IUPAC Name1-(4-chloro-2-fluorophenyl)-1-(3-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(F)c1)c1ccc(Cl)cc1F
InChIInChI=1S/C14H12ClF2N/c1-18-14(9-3-2-4-11(16)7-9)12-6-5-10(15)8-13(12)17/h2-8,14,18H,1H3
InChIKeyCBHGRHKPDMNEMJ-UHFFFAOYSA-N
XLogP3.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-fluoro-4-methylphenyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 115791781
1-(2-chlorophenyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 55125063
1-(4-chloro-2-fluorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 105022622
1-(2,5-dichlorothiophen-3-yl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 43486815
1-(4-chloro-2-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 43480178
1-(2,4-difluorophenyl)-N-methyl-1-phenylmethanamine
CID 43481546
1-(2-bromo-3-fluorophenyl)-1-(3-chlorophenyl)-N-methylmethanamine
CID 115811322
1-(5-chloro-1-benzofuran-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 114727543
1-(3-fluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 64989689
1-(4-chloro-2-fluorophenyl)-1-(3-chloro-4-methoxyphenyl)-N-methylmethanamine
CID 43480929
1-(2,3-dimethylphenyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 55085138
1-(2-bromo-6-fluorophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
CID 114886903

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-1-(3-fluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-1-(3-fluorophenyl)-N-methylmethanamine (CID 63081255) is 1-(4-chloro-2-fluorophenyl)-1-(3-fluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-1-(3-fluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-1-(3-fluorophenyl)-N-methylmethanamine is CNC(c1cccc(F)c1)c1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-1-(3-fluorophenyl)-N-methylmethanamine?
The InChIKey is CBHGRHKPDMNEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2N/c1-18-14(9-3-2-4-11(16)7-9)12-6-5-10(15)8-13(12)17/h2-8,14,18H,1H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-1-(3-fluorophenyl)-N-methylmethanamine?
1-(4-chloro-2-fluorophenyl)-1-(3-fluorophenyl)-N-methylmethanamine has a molecular weight of 267.71 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-1-(3-fluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 63081255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).