2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine

C8H17ClN2 — CID 131228052

IUPAC2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
SMILESCN1CCCC1CNCCCl
InChIInChI=1S/C8H17ClN2/c1-11-6-2-3-8(11)7-10-5-4-9/h8,10H,2-7H2,1H3
InChIKeyBDKOCFBZWRUKBO-UHFFFAOYSA-N
MW176.69 g/mol
LogP0.91
Rot. Bonds4

About 2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine

2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine (PubChem CID 131228052) has the molecular formula C8H17ClN2 and a molecular weight of 176.69 g/mol. Its IUPAC name is 2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
PubChem CID131228052
Molecular FormulaC8H17ClN2
Molecular Weight176.69 g/mol
Exact Mass176.11
IUPAC Name2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
SMILESCN1CCCC1CNCCCl
InChIInChI=1S/C8H17ClN2/c1-11-6-2-3-8(11)7-10-5-4-9/h8,10H,2-7H2,1H3
InChIKeyBDKOCFBZWRUKBO-UHFFFAOYSA-N
XLogP0.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.69
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]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

3-cyclopropyl-N-[(1-methylpyrrolidin-2-yl)methyl]propan-1-amine
CID 102551343
N-[(1-methylpyrrolidin-2-yl)methyl]nonan-1-amine
CID 106025363
2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]prop-2-en-1-amine
CID 106025385
3-(2-methoxyethoxy)-N-[(1-methylpyrrolidin-2-yl)methyl]propan-1-amine
CID 106025656
N-[(1-methylpyrrolidin-2-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 106025650
N'-[(1-methylpiperidin-2-yl)methyl]butane-1,4-diamine
CID 62657344
(E)-N-[(1-methylpyrrolidin-2-yl)methyl]but-2-en-1-amine
CID 106025065
3-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide
CID 106019321
N-[(3,4-dimethylphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 103626307
2,2-dimethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 106024028
N-[[2-(chloromethyl)cyclohexyl]methyl]-2-(1-methylpiperidin-2-yl)ethanamine
CID 107913747
2-[(1-methylpiperidin-2-yl)methylamino]ethylurea
CID 83111623

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine?
The IUPAC name of 2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine (CID 131228052) is 2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine?
The canonical SMILES for 2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine is CN1CCCC1CNCCCl.
What is the InChIKey of 2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine?
The InChIKey is BDKOCFBZWRUKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17ClN2/c1-11-6-2-3-8(11)7-10-5-4-9/h8,10H,2-7H2,1H3.
What are the key properties of 2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine?
2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine has a molecular weight of 176.69 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine is sourced from PubChem (CID 131228052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).