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

C11H16Cl2N2 — CID 119917385

IUPAC1-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
SMILESCl.NC1CCN(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
InChIKeyQSEXZEAVJTXZJU-UHFFFAOYSA-N
MW247.17 g/mol
LogP2.29
Rot. Bonds2

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

1-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride (PubChem CID 119917385) has the molecular formula C11H16Cl2N2 and a molecular weight of 247.17 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
PubChem CID119917385
Molecular FormulaC11H16Cl2N2
Molecular Weight247.17 g/mol
Exact Mass246.07
IUPAC Name1-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
SMILESCl.NC1CCN(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
InChIKeyQSEXZEAVJTXZJU-UHFFFAOYSA-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

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Related Compounds

(3S)-1-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119933654
(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 1-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride?
The IUPAC name of 1-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride (CID 119917385) is 1-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride is Cl.NC1CCN(Cc2ccccc2Cl)C1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride?
The InChIKey is QSEXZEAVJTXZJU-UHFFFAOYSA-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.
What are the key properties of 1-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride?
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 1-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 119917385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).