[(2S)-1-benzylpyrrolidin-2-yl]methanamine;hydrochloride

C12H19ClN2 — CID 22856183

IUPAC[(2S)-1-benzylpyrrolidin-2-yl]methanamine;hydrochloride
SMILESCl.NC[C@@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C12H18N2.ClH/c13-9-12-7-4-8-14(12)10-11-5-2-1-3-6-11;/h1-3,5-6,12H,4,7-10,13H2;1H/t12-;/m0./s1
InChIKeyTWGKQRSPEZZYRK-YDALLXLXSA-N
MW226.75 g/mol
LogP2.03
Rot. Bonds3

About [(2S)-1-benzylpyrrolidin-2-yl]methanamine;hydrochloride

[(2S)-1-benzylpyrrolidin-2-yl]methanamine;hydrochloride (PubChem CID 22856183) has the molecular formula C12H19ClN2 and a molecular weight of 226.75 g/mol. Its IUPAC name is [(2S)-1-benzylpyrrolidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[(2S)-1-benzylpyrrolidin-2-yl]methanamine;hydrochloride
PubChem CID22856183
Molecular FormulaC12H19ClN2
Molecular Weight226.75 g/mol
Exact Mass226.12
IUPAC Name[(2S)-1-benzylpyrrolidin-2-yl]methanamine;hydrochloride
SMILESCl.NC[C@@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C12H18N2.ClH/c13-9-12-7-4-8-14(12)10-11-5-2-1-3-6-11;/h1-3,5-6,12H,4,7-10,13H2;1H/t12-;/m0./s1
InChIKeyTWGKQRSPEZZYRK-YDALLXLXSA-N
XLogP2.03
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(1-benzylpyrrol-3-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 75509550
[(2S)-1-[(4-iodophenyl)methyl]pyrrolidin-2-yl]methanamine
CID 90478034
[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine
CID 14709038
[1-[(4-bromophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916130
[1-[(4-fluorophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916113
[1-(2,2-diphenylethyl)pyrrolidin-2-yl]methanamine
CID 107292865
(2R)-1-benzyl-2-(bromomethyl)piperidine;hydrochloride
CID 67264853
[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methanamine
CID 23074040
[1-[[4-(difluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methanamine
CID 115524682
2-[(2R)-1-benzylpyrrolidin-2-yl]acetonitrile
CID 124565775
3-(1-benzylazepan-2-yl)propan-1-amine
CID 83488248
[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 119927174

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-benzylpyrrolidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [(2S)-1-benzylpyrrolidin-2-yl]methanamine;hydrochloride (CID 22856183) is [(2S)-1-benzylpyrrolidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [(2S)-1-benzylpyrrolidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [(2S)-1-benzylpyrrolidin-2-yl]methanamine;hydrochloride is Cl.NC[C@@H]1CCCN1Cc1ccccc1.
What is the InChIKey of [(2S)-1-benzylpyrrolidin-2-yl]methanamine;hydrochloride?
The InChIKey is TWGKQRSPEZZYRK-YDALLXLXSA-N. The full InChI is InChI=1S/C12H18N2.ClH/c13-9-12-7-4-8-14(12)10-11-5-2-1-3-6-11;/h1-3,5-6,12H,4,7-10,13H2;1H/t12-;/m0./s1.
What are the key properties of [(2S)-1-benzylpyrrolidin-2-yl]methanamine;hydrochloride?
[(2S)-1-benzylpyrrolidin-2-yl]methanamine;hydrochloride has a molecular weight of 226.75 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-benzylpyrrolidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 22856183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).