(3-pyrrolidin-1-ylphenyl)methanamine

C11H16N2 — CID 7162061

IUPAC(3-pyrrolidin-1-ylphenyl)methanamine
SMILESNCc1cccc(N2CCCC2)c1
InChIInChI=1S/C11H16N2/c12-9-10-4-3-5-11(8-10)13-6-1-2-7-13/h3-5,8H,1-2,6-7,9,12H2
InChIKeyBXTWTBYGOKOWQX-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.75
Rot. Bonds2

About (3-pyrrolidin-1-ylphenyl)methanamine

(3-pyrrolidin-1-ylphenyl)methanamine (PubChem CID 7162061) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is (3-pyrrolidin-1-ylphenyl)methanamine.

Molecular Properties

Compound Name(3-pyrrolidin-1-ylphenyl)methanamine
PubChem CID7162061
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name(3-pyrrolidin-1-ylphenyl)methanamine
SMILESNCc1cccc(N2CCCC2)c1
InChIInChI=1S/C11H16N2/c12-9-10-4-3-5-11(8-10)13-6-1-2-7-13/h3-5,8H,1-2,6-7,9,12H2
InChIKeyBXTWTBYGOKOWQX-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-pyrrolidin-1-ylphenyl)methanamine?
The IUPAC name of (3-pyrrolidin-1-ylphenyl)methanamine (CID 7162061) is (3-pyrrolidin-1-ylphenyl)methanamine.
What is the SMILES notation for (3-pyrrolidin-1-ylphenyl)methanamine?
The canonical SMILES for (3-pyrrolidin-1-ylphenyl)methanamine is NCc1cccc(N2CCCC2)c1.
What is the InChIKey of (3-pyrrolidin-1-ylphenyl)methanamine?
The InChIKey is BXTWTBYGOKOWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c12-9-10-4-3-5-11(8-10)13-6-1-2-7-13/h3-5,8H,1-2,6-7,9,12H2.
What are the key properties of (3-pyrrolidin-1-ylphenyl)methanamine?
(3-pyrrolidin-1-ylphenyl)methanamine has a molecular weight of 176.26 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyrrolidin-1-ylphenyl)methanamine is sourced from PubChem (CID 7162061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).