N-(2-chloro-4-methylphenyl)pyrrolidin-3-amine

C11H15ClN2 — CID 79724113

IUPACN-(2-chloro-4-methylphenyl)pyrrolidin-3-amine
SMILESCc1ccc(NC2CCNC2)c(Cl)c1
InChIInChI=1S/C11H15ClN2/c1-8-2-3-11(10(12)6-8)14-9-4-5-13-7-9/h2-3,6,9,13-14H,4-5,7H2,1H3
InChIKeyHQKNYDSUMZPYAL-UHFFFAOYSA-N
MW210.71 g/mol
LogP2.42
Rot. Bonds2

About N-(2-chloro-4-methylphenyl)pyrrolidin-3-amine

N-(2-chloro-4-methylphenyl)pyrrolidin-3-amine (PubChem CID 79724113) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)pyrrolidin-3-amine
PubChem CID79724113
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC NameN-(2-chloro-4-methylphenyl)pyrrolidin-3-amine
SMILESCc1ccc(NC2CCNC2)c(Cl)c1
InChIInChI=1S/C11H15ClN2/c1-8-2-3-11(10(12)6-8)14-9-4-5-13-7-9/h2-3,6,9,13-14H,4-5,7H2,1H3
InChIKeyHQKNYDSUMZPYAL-UHFFFAOYSA-N
XLogP2.42
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)pyrrolidin-3-amine?
The IUPAC name of N-(2-chloro-4-methylphenyl)pyrrolidin-3-amine (CID 79724113) is N-(2-chloro-4-methylphenyl)pyrrolidin-3-amine.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)pyrrolidin-3-amine?
The canonical SMILES for N-(2-chloro-4-methylphenyl)pyrrolidin-3-amine is Cc1ccc(NC2CCNC2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)pyrrolidin-3-amine?
The InChIKey is HQKNYDSUMZPYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2/c1-8-2-3-11(10(12)6-8)14-9-4-5-13-7-9/h2-3,6,9,13-14H,4-5,7H2,1H3.
What are the key properties of N-(2-chloro-4-methylphenyl)pyrrolidin-3-amine?
N-(2-chloro-4-methylphenyl)pyrrolidin-3-amine has a molecular weight of 210.71 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)pyrrolidin-3-amine is sourced from PubChem (CID 79724113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).