1-(2-chlorophenyl)-1-(3-fluorophenyl)-N-methylmethanamine

C14H13ClFN — CID 55125063

IUPAC1-(2-chlorophenyl)-1-(3-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(F)c1)c1ccccc1Cl
InChIInChI=1S/C14H13ClFN/c1-17-14(10-5-4-6-11(16)9-10)12-7-2-3-8-13(12)15/h2-9,14,17H,1H3
InChIKeyLYAGKBGEUIDWOY-UHFFFAOYSA-N
MW249.72 g/mol
LogP3.79
Rot. Bonds3

About 1-(2-chlorophenyl)-1-(3-fluorophenyl)-N-methylmethanamine

1-(2-chlorophenyl)-1-(3-fluorophenyl)-N-methylmethanamine (PubChem CID 55125063) has the molecular formula C14H13ClFN and a molecular weight of 249.72 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-1-(3-fluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-1-(3-fluorophenyl)-N-methylmethanamine
PubChem CID55125063
Molecular FormulaC14H13ClFN
Molecular Weight249.72 g/mol
Exact Mass249.07
IUPAC Name1-(2-chlorophenyl)-1-(3-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(F)c1)c1ccccc1Cl
InChIInChI=1S/C14H13ClFN/c1-17-14(10-5-4-6-11(16)9-10)12-7-2-3-8-13(12)15/h2-9,14,17H,1H3
InChIKeyLYAGKBGEUIDWOY-UHFFFAOYSA-N
XLogP3.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.72
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chlorophenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 55110975
N-[(2-chlorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 61030250
(1S)-1-(2-chloro-4-fluorophenyl)-N-methyl-1-phenylmethanamine
CID 51694296
1-(4-chloro-2-fluorophenyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 63081255
1-(2,3-dimethylphenyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 55085138
1-(2,5-dichlorothiophen-3-yl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 43486815
1-(2-chlorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 43480147
1-(2-chlorophenyl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 62716429
1-(3-fluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 64989689
1-(2-fluoro-4-methylphenyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 115791781
[(3-chloro-2-fluorophenyl)-(3-fluorophenyl)methyl]hydrazine
CID 105223374
1-(2-chloro-5-fluorophenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 105394635

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-1-(3-fluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-chlorophenyl)-1-(3-fluorophenyl)-N-methylmethanamine (CID 55125063) is 1-(2-chlorophenyl)-1-(3-fluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-1-(3-fluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-chlorophenyl)-1-(3-fluorophenyl)-N-methylmethanamine is CNC(c1cccc(F)c1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-1-(3-fluorophenyl)-N-methylmethanamine?
The InChIKey is LYAGKBGEUIDWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN/c1-17-14(10-5-4-6-11(16)9-10)12-7-2-3-8-13(12)15/h2-9,14,17H,1H3.
What are the key properties of 1-(2-chlorophenyl)-1-(3-fluorophenyl)-N-methylmethanamine?
1-(2-chlorophenyl)-1-(3-fluorophenyl)-N-methylmethanamine has a molecular weight of 249.72 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-1-(3-fluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 55125063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).