2-chloro-N-[[(2S)-4-methylpyrrolidin-2-yl]methyl]ethanamine

C8H17ClN2 — CID 131967910

IUPAC2-chloro-N-[[(2S)-4-methylpyrrolidin-2-yl]methyl]ethanamine
SMILESCC1CN[C@H](CNCCCl)C1
InChIInChI=1S/C8H17ClN2/c1-7-4-8(11-5-7)6-10-3-2-9/h7-8,10-11H,2-6H2,1H3/t7?,8-/m0/s1
InChIKeyARMCVXWIJPOXBP-MQWKRIRWSA-N
MW176.69 g/mol
LogP0.81
Rot. Bonds4

About 2-chloro-N-[[(2S)-4-methylpyrrolidin-2-yl]methyl]ethanamine

2-chloro-N-[[(2S)-4-methylpyrrolidin-2-yl]methyl]ethanamine (PubChem CID 131967910) has the molecular formula C8H17ClN2 and a molecular weight of 176.69 g/mol. Its IUPAC name is 2-chloro-N-[[(2S)-4-methylpyrrolidin-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-chloro-N-[[(2S)-4-methylpyrrolidin-2-yl]methyl]ethanamine
PubChem CID131967910
Molecular FormulaC8H17ClN2
Molecular Weight176.69 g/mol
Exact Mass176.11
IUPAC Name2-chloro-N-[[(2S)-4-methylpyrrolidin-2-yl]methyl]ethanamine
SMILESCC1CN[C@H](CNCCCl)C1
InChIInChI=1S/C8H17ClN2/c1-7-4-8(11-5-7)6-10-3-2-9/h7-8,10-11H,2-6H2,1H3/t7?,8-/m0/s1
InChIKeyARMCVXWIJPOXBP-MQWKRIRWSA-N
XLogP0.81
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.69
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-[(2R,4R)-4-methylpyrrolidin-2-yl]methanamine
CID 147487511
(2S,4S)-4-methyl-2-[(sulfamoylamino)methyl]pyrrolidine
CID 122625851
[(4R)-4-methylpyrrolidin-2-yl]methanol
CID 149144026
2-(fluoromethyl)-4-methylpyrrolidine;hydrochloride
CID 138114248
[(2R,4S)-4-methylpyrrolidin-2-yl]methanol;hydrochloride
CID 68644094
5-(propylaminomethyl)pyrrolidin-3-ol
CID 66056154
ethane;4-methyl-2-propylpyrrolidine
CID 170743275
N'-[[(2R,4S)-4-(3-aminopropylamino)pyrrolidin-2-yl]methyl]propane-1,3-diamine
CID 10847025
2-[(4S)-4-methylpyrrolidin-2-yl]acetonitrile
CID 170704101
N,N-dimethyl-1-(4-methylpyrrolidin-2-yl)methanamine;ethane
CID 168883366
N-methyl-N'-[2-(4-methylpyrrolidin-2-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 176601704
(2S,4S)-2-hexyl-4-methylpyrrolidine
CID 101063075

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[(2S)-4-methylpyrrolidin-2-yl]methyl]ethanamine?
The IUPAC name of 2-chloro-N-[[(2S)-4-methylpyrrolidin-2-yl]methyl]ethanamine (CID 131967910) is 2-chloro-N-[[(2S)-4-methylpyrrolidin-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-chloro-N-[[(2S)-4-methylpyrrolidin-2-yl]methyl]ethanamine?
The canonical SMILES for 2-chloro-N-[[(2S)-4-methylpyrrolidin-2-yl]methyl]ethanamine is CC1CN[C@H](CNCCCl)C1.
What is the InChIKey of 2-chloro-N-[[(2S)-4-methylpyrrolidin-2-yl]methyl]ethanamine?
The InChIKey is ARMCVXWIJPOXBP-MQWKRIRWSA-N. The full InChI is InChI=1S/C8H17ClN2/c1-7-4-8(11-5-7)6-10-3-2-9/h7-8,10-11H,2-6H2,1H3/t7?,8-/m0/s1.
What are the key properties of 2-chloro-N-[[(2S)-4-methylpyrrolidin-2-yl]methyl]ethanamine?
2-chloro-N-[[(2S)-4-methylpyrrolidin-2-yl]methyl]ethanamine has a molecular weight of 176.69 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[(2S)-4-methylpyrrolidin-2-yl]methyl]ethanamine is sourced from PubChem (CID 131967910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).