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

C11H16Cl2N2 — CID 66519955

IUPACN-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
SMILESCl.Clc1ccccc1CNC1CCNC1
InChIInChI=1S/C11H15ClN2.ClH/c12-11-4-2-1-3-9(11)7-14-10-5-6-13-8-10;/h1-4,10,13-14H,5-8H2;1H
InChIKeyKDGBVOUSTHVDHI-UHFFFAOYSA-N
MW247.17 g/mol
LogP2.21
Rot. Bonds3

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

N-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride (PubChem CID 66519955) has the molecular formula C11H16Cl2N2 and a molecular weight of 247.17 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
PubChem CID66519955
Molecular FormulaC11H16Cl2N2
Molecular Weight247.17 g/mol
Exact Mass246.07
IUPAC NameN-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
SMILESCl.Clc1ccccc1CNC1CCNC1
InChIInChI=1S/C11H15ClN2.ClH/c12-11-4-2-1-3-9(11)7-14-10-5-6-13-8-10;/h1-4,10,13-14H,5-8H2;1H
InChIKeyKDGBVOUSTHVDHI-UHFFFAOYSA-N
XLogP2.21
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.17
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(2-chlorophenyl)pyrrolidin-3-amine
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1-[(2-chlorophenyl)methyl]-6-oxo-N-pyrrolidin-3-ylpyridine-3-carboxamide
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N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine
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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride?
The IUPAC name of N-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride (CID 66519955) is N-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for N-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride is Cl.Clc1ccccc1CNC1CCNC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride?
The InChIKey is KDGBVOUSTHVDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2.ClH/c12-11-4-2-1-3-9(11)7-14-10-5-6-13-8-10;/h1-4,10,13-14H,5-8H2;1H.
What are the key properties of N-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride?
N-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride has a molecular weight of 247.17 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 66519955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).