2-chloro-1-(1-methylpyrrolidin-3-yl)ethanamine

C7H15ClN2 — CID 116937646

IUPAC2-chloro-1-(1-methylpyrrolidin-3-yl)ethanamine
SMILESCN1CCC(C(N)CCl)C1
InChIInChI=1S/C7H15ClN2/c1-10-3-2-6(5-10)7(9)4-8/h6-7H,2-5,9H2,1H3
InChIKeyRXLWHPDQQNPZBU-UHFFFAOYSA-N
MW162.66 g/mol
LogP0.50
Rot. Bonds2

About 2-chloro-1-(1-methylpyrrolidin-3-yl)ethanamine

2-chloro-1-(1-methylpyrrolidin-3-yl)ethanamine (PubChem CID 116937646) has the molecular formula C7H15ClN2 and a molecular weight of 162.66 g/mol. Its IUPAC name is 2-chloro-1-(1-methylpyrrolidin-3-yl)ethanamine.

Molecular Properties

Compound Name2-chloro-1-(1-methylpyrrolidin-3-yl)ethanamine
PubChem CID116937646
Molecular FormulaC7H15ClN2
Molecular Weight162.66 g/mol
Exact Mass162.09
IUPAC Name2-chloro-1-(1-methylpyrrolidin-3-yl)ethanamine
SMILESCN1CCC(C(N)CCl)C1
InChIInChI=1S/C7H15ClN2/c1-10-3-2-6(5-10)7(9)4-8/h6-7H,2-5,9H2,1H3
InChIKeyRXLWHPDQQNPZBU-UHFFFAOYSA-N
XLogP0.50
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.66
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-1-(1-methylpyrrolidin-3-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-methylpyrrolidin-3-yl)-2-methylsulfanylethanamine
CID 117237518
2-chloro-N,N-dimethyl-1-(1-methylpyrrolidin-3-yl)ethanamine
CID 116907508
N'-cyclopentyl-1-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine
CID 117237125
N'-cyclobutyl-1-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine
CID 117237112
3-amino-N-methyl-3-(1-methylpyrrolidin-3-yl)propanamide
CID 116850731
3-amino-N,N-dimethyl-3-(1-methylpyrrolidin-3-yl)propanamide
CID 116850366
2-(4-chlorophenoxy)-1-(1-methylpyrrolidin-3-yl)ethanamine
CID 117237457
1-methyl-3-propan-2-ylpyrrolidine
CID 21355395
2-methyl-1-(1-methylpyrrolidin-3-yl)prop-2-en-1-amine
CID 164659550
ethane;(3R)-1-methyl-3-propan-2-ylpyrrolidine
CID 176952918
1-(1-methylpiperidin-3-yl)butane-1,4-diamine
CID 116933806
N'-methyl-1-(1-methylpiperidin-4-yl)propane-1,3-diamine
CID 116933024

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(1-methylpyrrolidin-3-yl)ethanamine?
The IUPAC name of 2-chloro-1-(1-methylpyrrolidin-3-yl)ethanamine (CID 116937646) is 2-chloro-1-(1-methylpyrrolidin-3-yl)ethanamine.
What is the SMILES notation for 2-chloro-1-(1-methylpyrrolidin-3-yl)ethanamine?
The canonical SMILES for 2-chloro-1-(1-methylpyrrolidin-3-yl)ethanamine is CN1CCC(C(N)CCl)C1.
What is the InChIKey of 2-chloro-1-(1-methylpyrrolidin-3-yl)ethanamine?
The InChIKey is RXLWHPDQQNPZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15ClN2/c1-10-3-2-6(5-10)7(9)4-8/h6-7H,2-5,9H2,1H3.
What are the key properties of 2-chloro-1-(1-methylpyrrolidin-3-yl)ethanamine?
2-chloro-1-(1-methylpyrrolidin-3-yl)ethanamine has a molecular weight of 162.66 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(1-methylpyrrolidin-3-yl)ethanamine is sourced from PubChem (CID 116937646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).