1-[4-(2-chlorophenyl)-3-pyridinyl]-N-methylmethanamine

C13H13ClN2 — CID 115824634

IUPAC1-[4-(2-chlorophenyl)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cnccc1-c1ccccc1Cl
InChIInChI=1S/C13H13ClN2/c1-15-8-10-9-16-7-6-11(10)12-4-2-3-5-13(12)14/h2-7,9,15H,8H2,1H3
InChIKeyPJVYFFXSOSSVNK-UHFFFAOYSA-N
MW232.71 g/mol
LogP3.12
Rot. Bonds3

About 1-[4-(2-chlorophenyl)-3-pyridinyl]-N-methylmethanamine

1-[4-(2-chlorophenyl)-3-pyridinyl]-N-methylmethanamine (PubChem CID 115824634) has the molecular formula C13H13ClN2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 1-[4-(2-chlorophenyl)-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(2-chlorophenyl)-3-pyridinyl]-N-methylmethanamine
PubChem CID115824634
Molecular FormulaC13H13ClN2
Molecular Weight232.71 g/mol
Exact Mass232.08
IUPAC Name1-[4-(2-chlorophenyl)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cnccc1-c1ccccc1Cl
InChIInChI=1S/C13H13ClN2/c1-15-8-10-9-16-7-6-11(10)12-4-2-3-5-13(12)14/h2-7,9,15H,8H2,1H3
InChIKeyPJVYFFXSOSSVNK-UHFFFAOYSA-N
XLogP3.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-chlorophenyl)pyrimidin-5-yl]-N-methylmethanamine
CID 62756584
N-methyl-1-(4-methyl-3-pyridinyl)methanamine;dihydrochloride
CID 171316354
4-(2-chlorophenyl)-N-(2,2,2-trifluoroethyl)pyridin-3-amine
CID 70663252
2-(3-chloro-4-pyridinyl)phenol;ethane
CID 144591018
1-[4-(2-chlorophenyl)-2-fluorophenyl]-N-methylmethanamine
CID 54911260
4-(2-chlorophenyl)-N-cyclopropylpyridin-3-amine
CID 70663285
1-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine;hydrochloride
CID 3049278
1-[4-(4-chlorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 81250713
ethane;N-methyl-1-(3-methyl-4-pyridinyl)methanamine
CID 144800365
1-[4-(2,5-dihydropyrrol-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 130643019
N-[[2-(2-chlorophenyl)phenyl]methyl]propan-2-amine
CID 54910961
N-methyl-1-[2-(2,4,6-trichlorophenyl)phenyl]methanamine
CID 105349880

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chlorophenyl)-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(2-chlorophenyl)-3-pyridinyl]-N-methylmethanamine (CID 115824634) is 1-[4-(2-chlorophenyl)-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(2-chlorophenyl)-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(2-chlorophenyl)-3-pyridinyl]-N-methylmethanamine is CNCc1cnccc1-c1ccccc1Cl.
What is the InChIKey of 1-[4-(2-chlorophenyl)-3-pyridinyl]-N-methylmethanamine?
The InChIKey is PJVYFFXSOSSVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2/c1-15-8-10-9-16-7-6-11(10)12-4-2-3-5-13(12)14/h2-7,9,15H,8H2,1H3.
What are the key properties of 1-[4-(2-chlorophenyl)-3-pyridinyl]-N-methylmethanamine?
1-[4-(2-chlorophenyl)-3-pyridinyl]-N-methylmethanamine has a molecular weight of 232.71 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chlorophenyl)-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 115824634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).