(1-phenylpyrrolidin-2-yl)methanamine

C11H16N2 — CID 3072378

IUPAC(1-phenylpyrrolidin-2-yl)methanamine
SMILESNCC1CCCN1c1ccccc1
InChIInChI=1S/C11H16N2/c12-9-11-7-4-8-13(11)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,12H2
InChIKeyKNUMXWVUUOXOFF-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.61
Rot. Bonds2

About (1-phenylpyrrolidin-2-yl)methanamine

(1-phenylpyrrolidin-2-yl)methanamine (PubChem CID 3072378) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is (1-phenylpyrrolidin-2-yl)methanamine.

Molecular Properties

Compound Name(1-phenylpyrrolidin-2-yl)methanamine
PubChem CID3072378
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name(1-phenylpyrrolidin-2-yl)methanamine
SMILESNCC1CCCN1c1ccccc1
InChIInChI=1S/C11H16N2/c12-9-11-7-4-8-13(11)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,12H2
InChIKeyKNUMXWVUUOXOFF-UHFFFAOYSA-N
XLogP1.61
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-phenylpyrrolidin-2-yl)methanamine?
The IUPAC name of (1-phenylpyrrolidin-2-yl)methanamine (CID 3072378) is (1-phenylpyrrolidin-2-yl)methanamine.
What is the SMILES notation for (1-phenylpyrrolidin-2-yl)methanamine?
The canonical SMILES for (1-phenylpyrrolidin-2-yl)methanamine is NCC1CCCN1c1ccccc1.
What is the InChIKey of (1-phenylpyrrolidin-2-yl)methanamine?
The InChIKey is KNUMXWVUUOXOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c12-9-11-7-4-8-13(11)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,12H2.
What are the key properties of (1-phenylpyrrolidin-2-yl)methanamine?
(1-phenylpyrrolidin-2-yl)methanamine has a molecular weight of 176.26 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylpyrrolidin-2-yl)methanamine is sourced from PubChem (CID 3072378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).