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

C11H16N2 — CID 79725314

IUPACN-(2-methylphenyl)pyrrolidin-3-amine
SMILESCc1ccccc1NC1CCNC1
InChIInChI=1S/C11H16N2/c1-9-4-2-3-5-11(9)13-10-6-7-12-8-10/h2-5,10,12-13H,6-8H2,1H3
InChIKeyOOEGVSIHBNOSLF-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.77
Rot. Bonds2

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

N-(2-methylphenyl)pyrrolidin-3-amine (PubChem CID 79725314) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is N-(2-methylphenyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-(2-methylphenyl)pyrrolidin-3-amine
PubChem CID79725314
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC NameN-(2-methylphenyl)pyrrolidin-3-amine
SMILESCc1ccccc1NC1CCNC1
InChIInChI=1S/C11H16N2/c1-9-4-2-3-5-11(9)13-10-6-7-12-8-10/h2-5,10,12-13H,6-8H2,1H3
InChIKeyOOEGVSIHBNOSLF-UHFFFAOYSA-N
XLogP1.77
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)pyrrolidin-3-amine?
The IUPAC name of N-(2-methylphenyl)pyrrolidin-3-amine (CID 79725314) is N-(2-methylphenyl)pyrrolidin-3-amine.
What is the SMILES notation for N-(2-methylphenyl)pyrrolidin-3-amine?
The canonical SMILES for N-(2-methylphenyl)pyrrolidin-3-amine is Cc1ccccc1NC1CCNC1.
What is the InChIKey of N-(2-methylphenyl)pyrrolidin-3-amine?
The InChIKey is OOEGVSIHBNOSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-9-4-2-3-5-11(9)13-10-6-7-12-8-10/h2-5,10,12-13H,6-8H2,1H3.
What are the key properties of N-(2-methylphenyl)pyrrolidin-3-amine?
N-(2-methylphenyl)pyrrolidin-3-amine has a molecular weight of 176.26 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)pyrrolidin-3-amine is sourced from PubChem (CID 79725314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).