3-(chloromethyl)-N-methyl-N-propan-2-ylpyridin-4-amine

C10H15ClN2 — CID 81237062

IUPAC3-(chloromethyl)-N-methyl-N-propan-2-ylpyridin-4-amine
SMILESCC(C)N(C)c1ccncc1CCl
InChIInChI=1S/C10H15ClN2/c1-8(2)13(3)10-4-5-12-7-9(10)6-11/h4-5,7-8H,6H2,1-3H3
InChIKeyJXSUBOLRTKJEEP-UHFFFAOYSA-N
MW198.70 g/mol
LogP2.66
Rot. Bonds3

About 3-(chloromethyl)-N-methyl-N-propan-2-ylpyridin-4-amine

3-(chloromethyl)-N-methyl-N-propan-2-ylpyridin-4-amine (PubChem CID 81237062) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is 3-(chloromethyl)-N-methyl-N-propan-2-ylpyridin-4-amine.

Molecular Properties

Compound Name3-(chloromethyl)-N-methyl-N-propan-2-ylpyridin-4-amine
PubChem CID81237062
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC Name3-(chloromethyl)-N-methyl-N-propan-2-ylpyridin-4-amine
SMILESCC(C)N(C)c1ccncc1CCl
InChIInChI=1S/C10H15ClN2/c1-8(2)13(3)10-4-5-12-7-9(10)6-11/h4-5,7-8H,6H2,1-3H3
InChIKeyJXSUBOLRTKJEEP-UHFFFAOYSA-N
XLogP2.66
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.70
LogP ≤ 52.66
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

N-butan-2-yl-3-(chloromethyl)-N-methylpyridin-4-amine
CID 81238160
3-(aminomethyl)-N-methyl-N-propan-2-ylpyridin-4-amine
CID 81249725
3-(chloromethyl)-N-cyclopropyl-N-methylpyridin-4-amine
CID 81238671
2-(chloromethyl)-N-methyl-N-propan-2-ylaniline
CID 28946352
4-(chloromethyl)-N,N-dimethylpyridin-3-amine
CID 105067273
4-chloro-2-(chloromethyl)-N-methyl-N-propan-2-ylaniline
CID 114846318
N-methyl-4-(methylaminomethyl)-N-propan-2-ylpyridin-3-amine
CID 105072723
4-(chloromethyl)-N-(1-cyclopropylethyl)-N-methylpyridin-3-amine
CID 105067315
5-(chloromethyl)-N-methyl-N-propan-2-ylpyrimidin-4-amine
CID 130484711
4-(chloromethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-3-amine
CID 105067521
[4-[1-(4-chlorophenyl)ethyl-methylamino]-3-pyridinyl]methanol
CID 81238589
[4-[1-(2-chlorophenyl)ethyl-methylamino]-3-pyridinyl]methanol
CID 81238920

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-N-methyl-N-propan-2-ylpyridin-4-amine?
The IUPAC name of 3-(chloromethyl)-N-methyl-N-propan-2-ylpyridin-4-amine (CID 81237062) is 3-(chloromethyl)-N-methyl-N-propan-2-ylpyridin-4-amine.
What is the SMILES notation for 3-(chloromethyl)-N-methyl-N-propan-2-ylpyridin-4-amine?
The canonical SMILES for 3-(chloromethyl)-N-methyl-N-propan-2-ylpyridin-4-amine is CC(C)N(C)c1ccncc1CCl.
What is the InChIKey of 3-(chloromethyl)-N-methyl-N-propan-2-ylpyridin-4-amine?
The InChIKey is JXSUBOLRTKJEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2/c1-8(2)13(3)10-4-5-12-7-9(10)6-11/h4-5,7-8H,6H2,1-3H3.
What are the key properties of 3-(chloromethyl)-N-methyl-N-propan-2-ylpyridin-4-amine?
3-(chloromethyl)-N-methyl-N-propan-2-ylpyridin-4-amine has a molecular weight of 198.70 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-N-methyl-N-propan-2-ylpyridin-4-amine is sourced from PubChem (CID 81237062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).