N-benzyl-4-(chloromethyl)-N-methylpyridin-3-amine

C14H15ClN2 — CID 105067251

IUPACN-benzyl-4-(chloromethyl)-N-methylpyridin-3-amine
SMILESCN(Cc1ccccc1)c1cnccc1CCl
InChIInChI=1S/C14H15ClN2/c1-17(11-12-5-3-2-4-6-12)14-10-16-8-7-13(14)9-15/h2-8,10H,9,11H2,1H3
InChIKeyNFOCGFQKRNUNOV-UHFFFAOYSA-N
MW246.74 g/mol
LogP3.46
Rot. Bonds4

About N-benzyl-4-(chloromethyl)-N-methylpyridin-3-amine

N-benzyl-4-(chloromethyl)-N-methylpyridin-3-amine (PubChem CID 105067251) has the molecular formula C14H15ClN2 and a molecular weight of 246.74 g/mol. Its IUPAC name is N-benzyl-4-(chloromethyl)-N-methylpyridin-3-amine.

Molecular Properties

Compound NameN-benzyl-4-(chloromethyl)-N-methylpyridin-3-amine
PubChem CID105067251
Molecular FormulaC14H15ClN2
Molecular Weight246.74 g/mol
Exact Mass246.09
IUPAC NameN-benzyl-4-(chloromethyl)-N-methylpyridin-3-amine
SMILESCN(Cc1ccccc1)c1cnccc1CCl
InChIInChI=1S/C14H15ClN2/c1-17(11-12-5-3-2-4-6-12)14-10-16-8-7-13(14)9-15/h2-8,10H,9,11H2,1H3
InChIKeyNFOCGFQKRNUNOV-UHFFFAOYSA-N
XLogP3.46
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 53.46
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

4-(chloromethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine
CID 105067321
4-(chloromethyl)-N,N-dimethylpyridin-3-amine
CID 105067273
4-(chloromethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine
CID 105067467
4-[(cyclopropylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine
CID 105073052
2-(chloromethyl)-N-[(4-chlorophenyl)methyl]-N-methylaniline
CID 63540989
2-(chloromethyl)-4-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 43563584
4-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 105073020
N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-1-phenylmethanamine
CID 50950146
N-[(3-chlorophenyl)methyl]-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine
CID 105073225
N-[(4-chlorophenyl)methyl]-N-methyl-4-(propylaminomethyl)pyridin-3-amine
CID 105073646
[3-[benzyl(ethyl)amino]-4-pyridinyl]methanol
CID 105066690
4-(chloromethyl)-N-cyclopentyl-N-methylpyridin-3-amine
CID 105067287

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(chloromethyl)-N-methylpyridin-3-amine?
The IUPAC name of N-benzyl-4-(chloromethyl)-N-methylpyridin-3-amine (CID 105067251) is N-benzyl-4-(chloromethyl)-N-methylpyridin-3-amine.
What is the SMILES notation for N-benzyl-4-(chloromethyl)-N-methylpyridin-3-amine?
The canonical SMILES for N-benzyl-4-(chloromethyl)-N-methylpyridin-3-amine is CN(Cc1ccccc1)c1cnccc1CCl.
What is the InChIKey of N-benzyl-4-(chloromethyl)-N-methylpyridin-3-amine?
The InChIKey is NFOCGFQKRNUNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2/c1-17(11-12-5-3-2-4-6-12)14-10-16-8-7-13(14)9-15/h2-8,10H,9,11H2,1H3.
What are the key properties of N-benzyl-4-(chloromethyl)-N-methylpyridin-3-amine?
N-benzyl-4-(chloromethyl)-N-methylpyridin-3-amine has a molecular weight of 246.74 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(chloromethyl)-N-methylpyridin-3-amine is sourced from PubChem (CID 105067251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).