(3R)-1-(4-methylphenyl)pyrrolidin-3-amine

C11H16N2 — CID 93285995

IUPAC(3R)-1-(4-methylphenyl)pyrrolidin-3-amine
SMILESCc1ccc(N2CC[C@@H](N)C2)cc1
InChIInChI=1S/C11H16N2/c1-9-2-4-11(5-3-9)13-7-6-10(12)8-13/h2-5,10H,6-8,12H2,1H3/t10-/m1/s1
InChIKeyIIBFNTQWVBGVKU-SNVBAGLBSA-N
MW176.26 g/mol
LogP1.53
Rot. Bonds1

About (3R)-1-(4-methylphenyl)pyrrolidin-3-amine

(3R)-1-(4-methylphenyl)pyrrolidin-3-amine (PubChem CID 93285995) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is (3R)-1-(4-methylphenyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(4-methylphenyl)pyrrolidin-3-amine
PubChem CID93285995
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name(3R)-1-(4-methylphenyl)pyrrolidin-3-amine
SMILESCc1ccc(N2CC[C@@H](N)C2)cc1
InChIInChI=1S/C11H16N2/c1-9-2-4-11(5-3-9)13-7-6-10(12)8-13/h2-5,10H,6-8,12H2,1H3/t10-/m1/s1
InChIKeyIIBFNTQWVBGVKU-SNVBAGLBSA-N
XLogP1.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze (3R)-1-(4-methylphenyl)pyrrolidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-methylphenyl)pyrrolidin-3-amine?
The IUPAC name of (3R)-1-(4-methylphenyl)pyrrolidin-3-amine (CID 93285995) is (3R)-1-(4-methylphenyl)pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-(4-methylphenyl)pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-(4-methylphenyl)pyrrolidin-3-amine is Cc1ccc(N2CC[C@@H](N)C2)cc1.
What is the InChIKey of (3R)-1-(4-methylphenyl)pyrrolidin-3-amine?
The InChIKey is IIBFNTQWVBGVKU-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H16N2/c1-9-2-4-11(5-3-9)13-7-6-10(12)8-13/h2-5,10H,6-8,12H2,1H3/t10-/m1/s1.
What are the key properties of (3R)-1-(4-methylphenyl)pyrrolidin-3-amine?
(3R)-1-(4-methylphenyl)pyrrolidin-3-amine has a molecular weight of 176.26 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-methylphenyl)pyrrolidin-3-amine is sourced from PubChem (CID 93285995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).