2-(chloromethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridin-4-amine

C15H17ClN2 — CID 61411722

IUPAC2-(chloromethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridin-4-amine
SMILESCc1cccc(CN(C)c2ccnc(CCl)c2)c1
InChIInChI=1S/C15H17ClN2/c1-12-4-3-5-13(8-12)11-18(2)15-6-7-17-14(9-15)10-16/h3-9H,10-11H2,1-2H3
InChIKeyBSTQUULVZXIPLC-UHFFFAOYSA-N
MW260.77 g/mol
LogP3.77
Rot. Bonds4

About 2-(chloromethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridin-4-amine

2-(chloromethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridin-4-amine (PubChem CID 61411722) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 2-(chloromethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name2-(chloromethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridin-4-amine
PubChem CID61411722
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name2-(chloromethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridin-4-amine
SMILESCc1cccc(CN(C)c2ccnc(CCl)c2)c1
InChIInChI=1S/C15H17ClN2/c1-12-4-3-5-13(8-12)11-18(2)15-6-7-17-14(9-15)10-16/h3-9H,10-11H2,1-2H3
InChIKeyBSTQUULVZXIPLC-UHFFFAOYSA-N
XLogP3.77
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-4-amine
CID 61418078
2-(chloromethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-4-amine
CID 61413503
4-[methyl-[(3-methylphenyl)methyl]amino]pyridine-2-carbonitrile
CID 62925132
2-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N-methylpyridin-4-amine
CID 62300674
3-(chloromethyl)-5-fluoro-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 106530340
2-(chloromethyl)-N,N-dimethylpyridin-4-amine;dihydrochloride
CID 154776295
2-N-methyl-2-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 116796777
4-[(N,3-dimethylanilino)methyl]-N-methylpyridin-2-amine
CID 62470893
2-N-methyl-2-N-[(3-methylphenyl)methyl]pyridine-2,3-diamine
CID 61414258
4-(bromomethyl)-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 107080889
N-[(3-bromophenyl)methyl]-N,3-dimethylaniline
CID 55193940
4-(aminomethyl)-3-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 107274760

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridin-4-amine?
The IUPAC name of 2-(chloromethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridin-4-amine (CID 61411722) is 2-(chloromethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridin-4-amine.
What is the SMILES notation for 2-(chloromethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridin-4-amine?
The canonical SMILES for 2-(chloromethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridin-4-amine is Cc1cccc(CN(C)c2ccnc(CCl)c2)c1.
What is the InChIKey of 2-(chloromethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridin-4-amine?
The InChIKey is BSTQUULVZXIPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-12-4-3-5-13(8-12)11-18(2)15-6-7-17-14(9-15)10-16/h3-9H,10-11H2,1-2H3.
What are the key properties of 2-(chloromethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridin-4-amine?
2-(chloromethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridin-4-amine has a molecular weight of 260.77 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridin-4-amine is sourced from PubChem (CID 61411722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).