1-(5-chloro-2-methylphenyl)-N-methyl-2-pyridin-3-ylethanamine

C15H17ClN2 — CID 105034593

IUPAC1-(5-chloro-2-methylphenyl)-N-methyl-2-pyridin-3-ylethanamine
SMILESCNC(Cc1cccnc1)c1cc(Cl)ccc1C
InChIInChI=1S/C15H17ClN2/c1-11-5-6-13(16)9-14(11)15(17-2)8-12-4-3-7-18-10-12/h3-7,9-10,15,17H,8H2,1-2H3
InChIKeyVPJGBBLVVOKZEK-UHFFFAOYSA-N
MW260.77 g/mol
LogP3.55
Rot. Bonds4

About 1-(5-chloro-2-methylphenyl)-N-methyl-2-pyridin-3-ylethanamine

1-(5-chloro-2-methylphenyl)-N-methyl-2-pyridin-3-ylethanamine (PubChem CID 105034593) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-N-methyl-2-pyridin-3-ylethanamine.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-N-methyl-2-pyridin-3-ylethanamine
PubChem CID105034593
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name1-(5-chloro-2-methylphenyl)-N-methyl-2-pyridin-3-ylethanamine
SMILESCNC(Cc1cccnc1)c1cc(Cl)ccc1C
InChIInChI=1S/C15H17ClN2/c1-11-5-6-13(16)9-14(11)15(17-2)8-12-4-3-7-18-10-12/h3-7,9-10,15,17H,8H2,1-2H3
InChIKeyVPJGBBLVVOKZEK-UHFFFAOYSA-N
XLogP3.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylphenyl)-N-methyl-2-pyridin-3-ylethanamine
CID 62549906
N-methyl-2-pyridin-3-yl-1-(2,4,5-trimethylphenyl)ethanamine
CID 64990106
2-(5-bromo-3-pyridinyl)-1-(5-chloro-2-methylphenyl)-N-methylethanamine
CID 105036789
1-(2,3-difluoro-4-methylphenyl)-N-methyl-2-pyridin-3-ylethanamine
CID 107513287
1-(3,4-dimethylphenyl)-N-methyl-2-pyridin-3-ylethanamine
CID 62549735
1-(4-methoxy-2-methylphenyl)-N-methyl-2-pyridin-3-ylethanamine
CID 65313099
1-(2-methoxy-5-methylphenyl)-N-methyl-2-pyridin-3-ylethanamine
CID 62794931
N-methyl-1-(5-methyl-3-pyridinyl)-2-pyridin-3-ylethanamine
CID 113297193
[1-(5-chloro-2-methylphenyl)-2-pyridin-4-ylethyl]hydrazine
CID 105317616
2-(4-chloro-2-fluorophenyl)-N-methyl-1-(4-methyl-3-pyridinyl)ethanamine
CID 114878077
2-(2-bromophenyl)-1-(5-chloro-2-methylphenyl)-N-methylethanamine
CID 115787187
2-(3-chlorophenyl)-N-methyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105085790

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-N-methyl-2-pyridin-3-ylethanamine?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-N-methyl-2-pyridin-3-ylethanamine (CID 105034593) is 1-(5-chloro-2-methylphenyl)-N-methyl-2-pyridin-3-ylethanamine.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-N-methyl-2-pyridin-3-ylethanamine?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-N-methyl-2-pyridin-3-ylethanamine is CNC(Cc1cccnc1)c1cc(Cl)ccc1C.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-N-methyl-2-pyridin-3-ylethanamine?
The InChIKey is VPJGBBLVVOKZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-11-5-6-13(16)9-14(11)15(17-2)8-12-4-3-7-18-10-12/h3-7,9-10,15,17H,8H2,1-2H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)-N-methyl-2-pyridin-3-ylethanamine?
1-(5-chloro-2-methylphenyl)-N-methyl-2-pyridin-3-ylethanamine has a molecular weight of 260.77 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-N-methyl-2-pyridin-3-ylethanamine is sourced from PubChem (CID 105034593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).