N-(3-chloro-4-methylphenyl)-3,4-dihydro-2H-pyrrol-5-amine

C11H13ClN2 — CID 823249

IUPACN-(3-chloro-4-methylphenyl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESCc1ccc(NC2=NCCC2)cc1Cl
InChIInChI=1S/C11H13ClN2/c1-8-4-5-9(7-10(8)12)14-11-3-2-6-13-11/h4-5,7H,2-3,6H2,1H3,(H,13,14)
InChIKeyOEDDJDFKTNJJKN-UHFFFAOYSA-N
MW208.69 g/mol
LogP3.25
Rot. Bonds1

About N-(3-chloro-4-methylphenyl)-3,4-dihydro-2H-pyrrol-5-amine

N-(3-chloro-4-methylphenyl)-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 823249) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID823249
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC NameN-(3-chloro-4-methylphenyl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESCc1ccc(NC2=NCCC2)cc1Cl
InChIInChI=1S/C11H13ClN2/c1-8-4-5-9(7-10(8)12)14-11-3-2-6-13-11/h4-5,7H,2-3,6H2,1H3,(H,13,14)
InChIKeyOEDDJDFKTNJJKN-UHFFFAOYSA-N
XLogP3.25
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-(3-chloro-4-methylphenyl)-3,4-dihydro-2H-pyrrol-5-amine (CID 823249) is N-(3-chloro-4-methylphenyl)-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-3,4-dihydro-2H-pyrrol-5-amine is Cc1ccc(NC2=NCCC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is OEDDJDFKTNJJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2/c1-8-4-5-9(7-10(8)12)14-11-3-2-6-13-11/h4-5,7H,2-3,6H2,1H3,(H,13,14).
What are the key properties of N-(3-chloro-4-methylphenyl)-3,4-dihydro-2H-pyrrol-5-amine?
N-(3-chloro-4-methylphenyl)-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 208.69 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 823249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).