[3-(azidomethyl)phenyl]methanamine

C8H10N4 — CID 150198428

IUPAC[3-(azidomethyl)phenyl]methanamine
SMILES[N-]=[N+]=NCc1cccc(CN)c1
InChIInChI=1S/C8H10N4/c9-5-7-2-1-3-8(4-7)6-11-12-10/h1-4H,5-6,9H2
InChIKeyFOYCJXMDAPZGOA-UHFFFAOYSA-N
MW162.20 g/mol
LogP1.96
Rot. Bonds3

About [3-(azidomethyl)phenyl]methanamine

[3-(azidomethyl)phenyl]methanamine (PubChem CID 150198428) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is [3-(azidomethyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(azidomethyl)phenyl]methanamine
PubChem CID150198428
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Name[3-(azidomethyl)phenyl]methanamine
SMILES[N-]=[N+]=NCc1cccc(CN)c1
InChIInChI=1S/C8H10N4/c9-5-7-2-1-3-8(4-7)6-11-12-10/h1-4H,5-6,9H2
InChIKeyFOYCJXMDAPZGOA-UHFFFAOYSA-N
XLogP1.96
TPSA74.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-[3-(azidomethyl)phenyl]ethanol
CID 117109153
1-(azidomethyl)-3-methylbenzene
CID 2736816
[3-[(aminodiazenyl)methyl]phenyl]methanamine
CID 89366255
1-(azidomethyl)-3-(2-methoxyethyl)benzene
CID 117109154
3-(azidomethyl)benzamide
CID 61374948
[3-(aminomethyl)phenyl]methanamine;azane
CID 175725248
(3-azidophenyl)methanamine
CID 21438660
3-(azidomethyl)-N-methylaniline
CID 150848183
2-[3-(aminomethyl)phenyl]ethanamine
CID 67482147
[3-(azidomethyl)phenoxy]-trimethylsilane
CID 150826062
4-[[[3-(azidomethyl)phenyl]methyl-methylamino]methyl]-N,N-dimethylaniline
CID 53231787
1-(azidomethyl)-3-(2-methoxypropan-2-yl)benzene
CID 117109137

Frequently Asked Questions

What is the IUPAC name of [3-(azidomethyl)phenyl]methanamine?
The IUPAC name of [3-(azidomethyl)phenyl]methanamine (CID 150198428) is [3-(azidomethyl)phenyl]methanamine.
What is the SMILES notation for [3-(azidomethyl)phenyl]methanamine?
The canonical SMILES for [3-(azidomethyl)phenyl]methanamine is [N-]=[N+]=NCc1cccc(CN)c1.
What is the InChIKey of [3-(azidomethyl)phenyl]methanamine?
The InChIKey is FOYCJXMDAPZGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4/c9-5-7-2-1-3-8(4-7)6-11-12-10/h1-4H,5-6,9H2.
What are the key properties of [3-(azidomethyl)phenyl]methanamine?
[3-(azidomethyl)phenyl]methanamine has a molecular weight of 162.20 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(azidomethyl)phenyl]methanamine is sourced from PubChem (CID 150198428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).