N-(3-chlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride

C10H12Cl2N2 — CID 11834418

IUPACN-(3-chlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride
SMILESCl.Clc1cccc(NC2=NCCC2)c1
InChIInChI=1S/C10H11ClN2.ClH/c11-8-3-1-4-9(7-8)13-10-5-2-6-12-10;/h1,3-4,7H,2,5-6H2,(H,12,13);1H
InChIKeyXGVYGPHDNJOTLN-UHFFFAOYSA-N
MW231.13 g/mol
LogP3.37
Rot. Bonds1

About N-(3-chlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride

N-(3-chlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride (PubChem CID 11834418) has the molecular formula C10H12Cl2N2 and a molecular weight of 231.13 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride
PubChem CID11834418
Molecular FormulaC10H12Cl2N2
Molecular Weight231.13 g/mol
Exact Mass230.04
IUPAC NameN-(3-chlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride
SMILESCl.Clc1cccc(NC2=NCCC2)c1
InChIInChI=1S/C10H11ClN2.ClH/c11-8-3-1-4-9(7-8)13-10-5-2-6-12-10;/h1,3-4,7H,2,5-6H2,(H,12,13);1H
InChIKeyXGVYGPHDNJOTLN-UHFFFAOYSA-N
XLogP3.37
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.13
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride?
The IUPAC name of N-(3-chlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride (CID 11834418) is N-(3-chlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride.
What is the SMILES notation for N-(3-chlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride?
The canonical SMILES for N-(3-chlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride is Cl.Clc1cccc(NC2=NCCC2)c1.
What is the InChIKey of N-(3-chlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride?
The InChIKey is XGVYGPHDNJOTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2.ClH/c11-8-3-1-4-9(7-8)13-10-5-2-6-12-10;/h1,3-4,7H,2,5-6H2,(H,12,13);1H.
What are the key properties of N-(3-chlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride?
N-(3-chlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride has a molecular weight of 231.13 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride is sourced from PubChem (CID 11834418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).