(3S)-1-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride

C11H16Cl2N2 — CID 119933654

IUPAC(3S)-1-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
SMILESCl.N[C@H]1CCN(Cc2ccccc2Cl)C1
InChIInChI=1S/C11H15ClN2.ClH/c12-11-4-2-1-3-9(11)7-14-6-5-10(13)8-14;/h1-4,10H,5-8,13H2;1H/t10-;/m0./s1
InChIKeyQSEXZEAVJTXZJU-PPHPATTJSA-N
MW247.17 g/mol
LogP2.29
Rot. Bonds2

About (3S)-1-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride

(3S)-1-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride (PubChem CID 119933654) has the molecular formula C11H16Cl2N2 and a molecular weight of 247.17 g/mol. Its IUPAC name is (3S)-1-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3S)-1-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
PubChem CID119933654
Molecular FormulaC11H16Cl2N2
Molecular Weight247.17 g/mol
Exact Mass246.07
IUPAC Name(3S)-1-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
SMILESCl.N[C@H]1CCN(Cc2ccccc2Cl)C1
InChIInChI=1S/C11H15ClN2.ClH/c12-11-4-2-1-3-9(11)7-14-6-5-10(13)8-14;/h1-4,10H,5-8,13H2;1H/t10-;/m0./s1
InChIKeyQSEXZEAVJTXZJU-PPHPATTJSA-N
XLogP2.29
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.17
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-1-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride 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-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119917385
(3S)-1-[(2-bromophenyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 53256252
3-chloro-1-[(2-chlorophenyl)methyl]pyrrolidine
CID 63388048
1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120966061
(3S)-1-(naphthalen-1-ylmethyl)pyrrolidin-3-amine
CID 10680771
3-[(2-chlorophenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119927319
2-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728383
(3R)-1-[(2-nitrophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119905304
(3S)-1-[(2-chloro-5-methoxyphenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120966557
1-[(2-chlorophenyl)methyl]pyrrolidine-3-carbaldehyde
CID 102548694
1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidin-3-amine;dihydrochloride
CID 154906169
(3R)-1-[(3-chloro-2-fluorophenyl)methyl]piperidin-3-amine
CID 24904568

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3S)-1-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride (CID 119933654) is (3S)-1-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3S)-1-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3S)-1-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride is Cl.N[C@H]1CCN(Cc2ccccc2Cl)C1.
What is the InChIKey of (3S)-1-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride?
The InChIKey is QSEXZEAVJTXZJU-PPHPATTJSA-N. The full InChI is InChI=1S/C11H15ClN2.ClH/c12-11-4-2-1-3-9(11)7-14-6-5-10(13)8-14;/h1-4,10H,5-8,13H2;1H/t10-;/m0./s1.
What are the key properties of (3S)-1-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride?
(3S)-1-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride has a molecular weight of 247.17 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 119933654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).