(3-azidophenyl)methanamine

C7H8N4 — CID 21438660

IUPAC(3-azidophenyl)methanamine
SMILES[N-]=[N+]=Nc1cccc(CN)c1
InChIInChI=1S/C7H8N4/c8-5-6-2-1-3-7(4-6)10-11-9/h1-4H,5,8H2
InChIKeyKNFDAIKICIALGY-UHFFFAOYSA-N
MW148.17 g/mol
LogP2.09
Rot. Bonds2

About (3-azidophenyl)methanamine

(3-azidophenyl)methanamine (PubChem CID 21438660) has the molecular formula C7H8N4 and a molecular weight of 148.17 g/mol. Its IUPAC name is (3-azidophenyl)methanamine.

Molecular Properties

Compound Name(3-azidophenyl)methanamine
PubChem CID21438660
Molecular FormulaC7H8N4
Molecular Weight148.17 g/mol
Exact Mass148.07
IUPAC Name(3-azidophenyl)methanamine
SMILES[N-]=[N+]=Nc1cccc(CN)c1
InChIInChI=1S/C7H8N4/c8-5-6-2-1-3-7(4-6)10-11-9/h1-4H,5,8H2
InChIKeyKNFDAIKICIALGY-UHFFFAOYSA-N
XLogP2.09
TPSA74.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.17
LogP ≤ 52.09
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-azidophenyl)acetamide
CID 12836490
[3-(azidomethyl)phenyl]methanamine
CID 150198428
2-(3-azidophenyl)-1-phenylethanone;methane
CID 167655289
[3-(aminomethyl)phenyl]methanamine;azane
CID 175725248
1-[(3-azidophenyl)methyl]-4-bromopyrazole
CID 169325657
[3-[[3-(aminomethyl)-5-methylphenyl]diazenyl]phenyl]methanamine
CID 164763783
1-azido-3-ethenylbenzene
CID 10920640
1-[3-(3-azidophenoxy)phenyl]-N-methylmethanamine
CID 118487273
1-azido-3-(4-phenylmethoxyphenyl)benzene
CID 169326217
[3-azido-5-(hydroxymethyl)phenyl]methanol
CID 86006233
1-[(3-azidophenyl)methyl]-2-benzylisoquinolin-2-ium
CID 139739515
4-[[3-(aminomethyl)phenyl]diazenyl]-N,N-dimethylaniline
CID 88745974

Frequently Asked Questions

What is the IUPAC name of (3-azidophenyl)methanamine?
The IUPAC name of (3-azidophenyl)methanamine (CID 21438660) is (3-azidophenyl)methanamine.
What is the SMILES notation for (3-azidophenyl)methanamine?
The canonical SMILES for (3-azidophenyl)methanamine is [N-]=[N+]=Nc1cccc(CN)c1.
What is the InChIKey of (3-azidophenyl)methanamine?
The InChIKey is KNFDAIKICIALGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4/c8-5-6-2-1-3-7(4-6)10-11-9/h1-4H,5,8H2.
What are the key properties of (3-azidophenyl)methanamine?
(3-azidophenyl)methanamine has a molecular weight of 148.17 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-azidophenyl)methanamine is sourced from PubChem (CID 21438660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).