[4-methyl-2-(2-pyridin-4-ylpyrrolidin-1-yl)phenyl]methanamine

C17H21N3 — CID 62308633

IUPAC[4-methyl-2-(2-pyridin-4-ylpyrrolidin-1-yl)phenyl]methanamine
SMILESCc1ccc(CN)c(N2CCCC2c2ccncc2)c1
InChIInChI=1S/C17H21N3/c1-13-4-5-15(12-18)17(11-13)20-10-2-3-16(20)14-6-8-19-9-7-14/h4-9,11,16H,2-3,10,12,18H2,1H3
InChIKeyOTCJABAIZMTMPK-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.19
Rot. Bonds3

About [4-methyl-2-(2-pyridin-4-ylpyrrolidin-1-yl)phenyl]methanamine

[4-methyl-2-(2-pyridin-4-ylpyrrolidin-1-yl)phenyl]methanamine (PubChem CID 62308633) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is [4-methyl-2-(2-pyridin-4-ylpyrrolidin-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-methyl-2-(2-pyridin-4-ylpyrrolidin-1-yl)phenyl]methanamine
PubChem CID62308633
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name[4-methyl-2-(2-pyridin-4-ylpyrrolidin-1-yl)phenyl]methanamine
SMILESCc1ccc(CN)c(N2CCCC2c2ccncc2)c1
InChIInChI=1S/C17H21N3/c1-13-4-5-15(12-18)17(11-13)20-10-2-3-16(20)14-6-8-19-9-7-14/h4-9,11,16H,2-3,10,12,18H2,1H3
InChIKeyOTCJABAIZMTMPK-UHFFFAOYSA-N
XLogP3.19
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(2-pyridin-4-ylpyrrolidin-1-yl)phenyl]methanamine?
The IUPAC name of [4-methyl-2-(2-pyridin-4-ylpyrrolidin-1-yl)phenyl]methanamine (CID 62308633) is [4-methyl-2-(2-pyridin-4-ylpyrrolidin-1-yl)phenyl]methanamine.
What is the SMILES notation for [4-methyl-2-(2-pyridin-4-ylpyrrolidin-1-yl)phenyl]methanamine?
The canonical SMILES for [4-methyl-2-(2-pyridin-4-ylpyrrolidin-1-yl)phenyl]methanamine is Cc1ccc(CN)c(N2CCCC2c2ccncc2)c1.
What is the InChIKey of [4-methyl-2-(2-pyridin-4-ylpyrrolidin-1-yl)phenyl]methanamine?
The InChIKey is OTCJABAIZMTMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-13-4-5-15(12-18)17(11-13)20-10-2-3-16(20)14-6-8-19-9-7-14/h4-9,11,16H,2-3,10,12,18H2,1H3.
What are the key properties of [4-methyl-2-(2-pyridin-4-ylpyrrolidin-1-yl)phenyl]methanamine?
[4-methyl-2-(2-pyridin-4-ylpyrrolidin-1-yl)phenyl]methanamine has a molecular weight of 267.38 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(2-pyridin-4-ylpyrrolidin-1-yl)phenyl]methanamine is sourced from PubChem (CID 62308633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).