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

C12H18N2 — CID 4712478

IUPAC[3-(pyrrolidin-1-ylmethyl)phenyl]methanamine
SMILESNCc1cccc(CN2CCCC2)c1
InChIInChI=1S/C12H18N2/c13-9-11-4-3-5-12(8-11)10-14-6-1-2-7-14/h3-5,8H,1-2,6-7,9-10,13H2
InChIKeyRTUWXPVILJUANC-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.74
Rot. Bonds3

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

[3-(pyrrolidin-1-ylmethyl)phenyl]methanamine (PubChem CID 4712478) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is [3-(pyrrolidin-1-ylmethyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(pyrrolidin-1-ylmethyl)phenyl]methanamine
PubChem CID4712478
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name[3-(pyrrolidin-1-ylmethyl)phenyl]methanamine
SMILESNCc1cccc(CN2CCCC2)c1
InChIInChI=1S/C12H18N2/c13-9-11-4-3-5-12(8-11)10-14-6-1-2-7-14/h3-5,8H,1-2,6-7,9-10,13H2
InChIKeyRTUWXPVILJUANC-UHFFFAOYSA-N
XLogP1.74
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(pyrrolidin-1-ylmethyl)phenyl]methanamine?
The IUPAC name of [3-(pyrrolidin-1-ylmethyl)phenyl]methanamine (CID 4712478) is [3-(pyrrolidin-1-ylmethyl)phenyl]methanamine.
What is the SMILES notation for [3-(pyrrolidin-1-ylmethyl)phenyl]methanamine?
The canonical SMILES for [3-(pyrrolidin-1-ylmethyl)phenyl]methanamine is NCc1cccc(CN2CCCC2)c1.
What is the InChIKey of [3-(pyrrolidin-1-ylmethyl)phenyl]methanamine?
The InChIKey is RTUWXPVILJUANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c13-9-11-4-3-5-12(8-11)10-14-6-1-2-7-14/h3-5,8H,1-2,6-7,9-10,13H2.
What are the key properties of [3-(pyrrolidin-1-ylmethyl)phenyl]methanamine?
[3-(pyrrolidin-1-ylmethyl)phenyl]methanamine has a molecular weight of 190.29 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(pyrrolidin-1-ylmethyl)phenyl]methanamine is sourced from PubChem (CID 4712478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).