[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methanamine

C13H20N2 — CID 114478531

IUPAC[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methanamine
SMILESCc1cc(CN)ccc1CN1CCCC1
InChIInChI=1S/C13H20N2/c1-11-8-12(9-14)4-5-13(11)10-15-6-2-3-7-15/h4-5,8H,2-3,6-7,9-10,14H2,1H3
InChIKeyKETMXHNKXPVLIE-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.05
Rot. Bonds3

About [3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methanamine

[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methanamine (PubChem CID 114478531) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is [3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methanamine
PubChem CID114478531
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methanamine
SMILESCc1cc(CN)ccc1CN1CCCC1
InChIInChI=1S/C13H20N2/c1-11-8-12(9-14)4-5-13(11)10-15-6-2-3-7-15/h4-5,8H,2-3,6-7,9-10,14H2,1H3
InChIKeyKETMXHNKXPVLIE-UHFFFAOYSA-N
XLogP2.05
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methanamine 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 [3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methanamine?
The IUPAC name of [3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methanamine (CID 114478531) is [3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methanamine.
What is the SMILES notation for [3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methanamine?
The canonical SMILES for [3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methanamine is Cc1cc(CN)ccc1CN1CCCC1.
What is the InChIKey of [3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methanamine?
The InChIKey is KETMXHNKXPVLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-11-8-12(9-14)4-5-13(11)10-15-6-2-3-7-15/h4-5,8H,2-3,6-7,9-10,14H2,1H3.
What are the key properties of [3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methanamine?
[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methanamine has a molecular weight of 204.32 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methanamine is sourced from PubChem (CID 114478531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).