[3-(aminomethyl)phenyl]methanamine;azane

C8H15N3 — CID 175725248

IUPAC[3-(aminomethyl)phenyl]methanamine;azane
SMILESN.NCc1cccc(CN)c1
InChIInChI=1S/C8H12N2.H3N/c9-5-7-2-1-3-8(4-7)6-10;/h1-4H,5-6,9-10H2;1H3
InChIKeyGGASPIBMMWQMIZ-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.77
Rot. Bonds2

About [3-(aminomethyl)phenyl]methanamine;azane

[3-(aminomethyl)phenyl]methanamine;azane (PubChem CID 175725248) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is [3-(aminomethyl)phenyl]methanamine;azane.

Molecular Properties

Compound Name[3-(aminomethyl)phenyl]methanamine;azane
PubChem CID175725248
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name[3-(aminomethyl)phenyl]methanamine;azane
SMILESN.NCc1cccc(CN)c1
InChIInChI=1S/C8H12N2.H3N/c9-5-7-2-1-3-8(4-7)6-10;/h1-4H,5-6,9-10H2;1H3
InChIKeyGGASPIBMMWQMIZ-UHFFFAOYSA-N
XLogP0.77
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(aminomethyl)phenyl]methanamine;boric acid
CID 175765748
[3-(aminomethyl)phenyl]methanamine;ethane;molecular hydrogen
CID 145400663
[3-(fluoromethyl)phenyl]methanamine
CID 58789244
[3-(bromomethyl)phenyl]methanamine
CID 67540206
2-[3-(aminomethyl)phenyl]ethanamine
CID 67482147
[3-(aminomethyl)phenyl]methanamine;thiocyanic acid
CID 175054435
phenylmethanamine
CID 19864074
3-(aminomethyl)aniline;dihydrochloride
CID 23346995
[3-(methylsulfanylmethyl)phenyl]methanamine
CID 59652232
[3-(methoxymethyl)phenyl]methanamine
CID 16787292
phenylmethanamine;trihydrobromide
CID 175177372
phenylmethanamine;dodecahydrobromide
CID 175510511

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)phenyl]methanamine;azane?
The IUPAC name of [3-(aminomethyl)phenyl]methanamine;azane (CID 175725248) is [3-(aminomethyl)phenyl]methanamine;azane.
What is the SMILES notation for [3-(aminomethyl)phenyl]methanamine;azane?
The canonical SMILES for [3-(aminomethyl)phenyl]methanamine;azane is N.NCc1cccc(CN)c1.
What is the InChIKey of [3-(aminomethyl)phenyl]methanamine;azane?
The InChIKey is GGASPIBMMWQMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.H3N/c9-5-7-2-1-3-8(4-7)6-10;/h1-4H,5-6,9-10H2;1H3.
What are the key properties of [3-(aminomethyl)phenyl]methanamine;azane?
[3-(aminomethyl)phenyl]methanamine;azane has a molecular weight of 153.23 g/mol, XLogP of 0.77, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)phenyl]methanamine;azane is sourced from PubChem (CID 175725248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).