2-chloro-N-methyl-1-pyridin-4-ylethanamine

C8H11ClN2 — CID 116952687

IUPAC2-chloro-N-methyl-1-pyridin-4-ylethanamine
SMILESCNC(CCl)c1ccncc1
InChIInChI=1S/C8H11ClN2/c1-10-8(6-9)7-2-4-11-5-3-7/h2-5,8,10H,6H2,1H3
InChIKeyYMDYRRBIMNLPQY-UHFFFAOYSA-N
MW170.64 g/mol
LogP1.58
Rot. Bonds3

About 2-chloro-N-methyl-1-pyridin-4-ylethanamine

2-chloro-N-methyl-1-pyridin-4-ylethanamine (PubChem CID 116952687) has the molecular formula C8H11ClN2 and a molecular weight of 170.64 g/mol. Its IUPAC name is 2-chloro-N-methyl-1-pyridin-4-ylethanamine.

Molecular Properties

Compound Name2-chloro-N-methyl-1-pyridin-4-ylethanamine
PubChem CID116952687
Molecular FormulaC8H11ClN2
Molecular Weight170.64 g/mol
Exact Mass170.06
IUPAC Name2-chloro-N-methyl-1-pyridin-4-ylethanamine
SMILESCNC(CCl)c1ccncc1
InChIInChI=1S/C8H11ClN2/c1-10-8(6-9)7-2-4-11-5-3-7/h2-5,8,10H,6H2,1H3
InChIKeyYMDYRRBIMNLPQY-UHFFFAOYSA-N
XLogP1.58
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,4-dimethyl-1-pyridin-4-ylpentan-1-amine
CID 62600732
2-(4-chlorophenyl)-N-methyl-1-pyridin-4-ylethanamine
CID 60819195
2-chloro-1-(4-ethylphenyl)-N-methylethanamine
CID 116952559
2-chloro-1-(4-methoxyphenyl)-N-methylethanamine
CID 116952568
N-methyl-1-pyridin-4-yldecan-1-amine
CID 62600532
N-methyl-4-methylsulfonyl-1-pyridin-4-ylbutan-1-amine
CID 63192032
4-(1-chlorobutan-2-yl)pyridine
CID 141093425
2-(5-bromothiophen-2-yl)-N-methyl-1-pyridin-4-ylethanamine
CID 62601106
3-butoxy-N-methyl-1-pyridin-4-ylpropan-1-amine
CID 115001497
N-methyl-1-pyridin-4-ylethanamine;dihydrochloride
CID 42921481
2-chloro-1-(3,4-difluorophenyl)-N-methylethanamine
CID 116952603
N-(1-pyridin-4-ylpropyl)pentan-3-amine
CID 115723436

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-1-pyridin-4-ylethanamine?
The IUPAC name of 2-chloro-N-methyl-1-pyridin-4-ylethanamine (CID 116952687) is 2-chloro-N-methyl-1-pyridin-4-ylethanamine.
What is the SMILES notation for 2-chloro-N-methyl-1-pyridin-4-ylethanamine?
The canonical SMILES for 2-chloro-N-methyl-1-pyridin-4-ylethanamine is CNC(CCl)c1ccncc1.
What is the InChIKey of 2-chloro-N-methyl-1-pyridin-4-ylethanamine?
The InChIKey is YMDYRRBIMNLPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2/c1-10-8(6-9)7-2-4-11-5-3-7/h2-5,8,10H,6H2,1H3.
What are the key properties of 2-chloro-N-methyl-1-pyridin-4-ylethanamine?
2-chloro-N-methyl-1-pyridin-4-ylethanamine has a molecular weight of 170.64 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-1-pyridin-4-ylethanamine is sourced from PubChem (CID 116952687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).