3-chloro-N-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine

C11H17ClN2 — CID 61286728

IUPAC3-chloro-N-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine
SMILESCN(CCCCl)CCc1ccncc1
InChIInChI=1S/C11H17ClN2/c1-14(9-2-6-12)10-5-11-3-7-13-8-4-11/h3-4,7-8H,2,5-6,9-10H2,1H3
InChIKeyVRTGVRMDJZPTGE-UHFFFAOYSA-N
MW212.72 g/mol
LogP2.18
Rot. Bonds6

About 3-chloro-N-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine

3-chloro-N-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine (PubChem CID 61286728) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine.

Molecular Properties

Compound Name3-chloro-N-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine
PubChem CID61286728
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC Name3-chloro-N-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine
SMILESCN(CCCCl)CCc1ccncc1
InChIInChI=1S/C11H17ClN2/c1-14(9-2-6-12)10-5-11-3-7-13-8-4-11/h3-4,7-8H,2,5-6,9-10H2,1H3
InChIKeyVRTGVRMDJZPTGE-UHFFFAOYSA-N
XLogP2.18
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 52.18
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-(2-bromoethyl)-N-methyl-2-pyridin-4-ylethanamine
CID 61286935
2-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)prop-2-en-1-amine
CID 103067670
2,2-dimethyl-5-[methyl(2-pyridin-4-ylethyl)amino]pentanoic acid
CID 65255191
2-amino-2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]hexan-1-ol
CID 64825270
N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-pyridin-4-ylethanamine
CID 75402095
2-[methyl(2-pyridin-4-ylethyl)amino]acetonitrile
CID 22688898
N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)ethanamine
CID 3817841
N-benzyl-N-methyl-2-pyridin-4-ylethanamine
CID 78793254
N-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
CID 109025999
N-tert-butyl-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine
CID 61387145
4,4-dimethyl-1-[methyl(2-pyridin-4-ylethyl)amino]pentan-3-one
CID 62624763
N-(3-methoxypropyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine
CID 62560097

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine?
The IUPAC name of 3-chloro-N-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine (CID 61286728) is 3-chloro-N-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine.
What is the SMILES notation for 3-chloro-N-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine?
The canonical SMILES for 3-chloro-N-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine is CN(CCCCl)CCc1ccncc1.
What is the InChIKey of 3-chloro-N-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine?
The InChIKey is VRTGVRMDJZPTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2/c1-14(9-2-6-12)10-5-11-3-7-13-8-4-11/h3-4,7-8H,2,5-6,9-10H2,1H3.
What are the key properties of 3-chloro-N-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine?
3-chloro-N-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine has a molecular weight of 212.72 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine is sourced from PubChem (CID 61286728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).