1-(3-chloro-4-pyridinyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine

C15H17ClN2 — CID 105145337

IUPAC1-(3-chloro-4-pyridinyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(C)cc1C)c1ccncc1Cl
InChIInChI=1S/C15H17ClN2/c1-10-4-5-12(11(2)8-10)15(17-3)13-6-7-18-9-14(13)16/h4-9,15,17H,1-3H3
InChIKeyWQLKRIQZYQAHMR-UHFFFAOYSA-N
MW260.77 g/mol
LogP3.66
Rot. Bonds3

About 1-(3-chloro-4-pyridinyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine

1-(3-chloro-4-pyridinyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine (PubChem CID 105145337) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
PubChem CID105145337
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name1-(3-chloro-4-pyridinyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(C)cc1C)c1ccncc1Cl
InChIInChI=1S/C15H17ClN2/c1-10-4-5-12(11(2)8-10)15(17-3)13-6-7-18-9-14(13)16/h4-9,15,17H,1-3H3
InChIKeyWQLKRIQZYQAHMR-UHFFFAOYSA-N
XLogP3.66
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylphenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 104990383
1-(3-chloro-4-pyridinyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 105093667
1-(2-fluoro-4-methylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 105006295
1-(2-methoxy-4-methylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 106792054
1-(4-bromo-3-chloro-2-fluorophenyl)-1-(3-chloro-4-pyridinyl)-N-methylmethanamine
CID 106764894
2-(2-chloro-4-methylphenyl)-1-(3-chloro-4-pyridinyl)-N-methylethanamine
CID 106866140
1-(4-tert-butylphenyl)-1-(3-chloro-4-pyridinyl)-N-methylmethanamine
CID 105140506
1-(2,5-dichlorothiophen-3-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 43486831
1-(2-chloro-4-methylphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 106857167
1-(3-chloro-4-pyridinyl)-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 105145038
1-(4-bromo-5-chloro-2-fluorophenyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 105398729
N-methyl-1-(4-methyl-3-pyridinyl)-1-(2,4,5-trimethylphenyl)methanamine
CID 114878144

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine (CID 105145337) is 1-(3-chloro-4-pyridinyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine is CNC(c1ccc(C)cc1C)c1ccncc1Cl.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine?
The InChIKey is WQLKRIQZYQAHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-10-4-5-12(11(2)8-10)15(17-3)13-6-7-18-9-14(13)16/h4-9,15,17H,1-3H3.
What are the key properties of 1-(3-chloro-4-pyridinyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine?
1-(3-chloro-4-pyridinyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine has a molecular weight of 260.77 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 105145337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).