[3-(aminomethyl)phenyl]methanamine

C8H12N2 — CID 15133

IUPAC[3-(aminomethyl)phenyl]methanamine
SMILESNCc1cccc(CN)c1
InChIInChI=1S/C8H12N2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6,9-10H2
InChIKeyFDLQZKYLHJJBHD-UHFFFAOYSA-N
MW136.20 g/mol
LogP0.60
Rot. Bonds2

About [3-(aminomethyl)phenyl]methanamine

[3-(aminomethyl)phenyl]methanamine (PubChem CID 15133) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is [3-(aminomethyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(aminomethyl)phenyl]methanamine
PubChem CID15133
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name[3-(aminomethyl)phenyl]methanamine
SMILESNCc1cccc(CN)c1
InChIInChI=1S/C8H12N2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6,9-10H2
InChIKeyFDLQZKYLHJJBHD-UHFFFAOYSA-N
XLogP0.60
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)phenyl]methanamine?
The IUPAC name of [3-(aminomethyl)phenyl]methanamine (CID 15133) is [3-(aminomethyl)phenyl]methanamine.
What is the SMILES notation for [3-(aminomethyl)phenyl]methanamine?
The canonical SMILES for [3-(aminomethyl)phenyl]methanamine is NCc1cccc(CN)c1.
What is the InChIKey of [3-(aminomethyl)phenyl]methanamine?
The InChIKey is FDLQZKYLHJJBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6,9-10H2.
What are the key properties of [3-(aminomethyl)phenyl]methanamine?
[3-(aminomethyl)phenyl]methanamine has a molecular weight of 136.20 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)phenyl]methanamine is sourced from PubChem (CID 15133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).