N-[[4-(azidomethyl)phenyl]methyl]-N-methyl-1-phenylmethanamine

C16H18N4 — CID 53231791

IUPACN-[[4-(azidomethyl)phenyl]methyl]-N-methyl-1-phenylmethanamine
SMILESCN(Cc1ccccc1)Cc1ccc(CN=[N+]=[N-])cc1
InChIInChI=1S/C16H18N4/c1-20(12-15-5-3-2-4-6-15)13-16-9-7-14(8-10-16)11-18-19-17/h2-10H,11-13H2,1H3
InChIKeyVRHHKWTXHOBZET-UHFFFAOYSA-N
MW266.35 g/mol
LogP4.13
Rot. Bonds6

About N-[[4-(azidomethyl)phenyl]methyl]-N-methyl-1-phenylmethanamine

N-[[4-(azidomethyl)phenyl]methyl]-N-methyl-1-phenylmethanamine (PubChem CID 53231791) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is N-[[4-(azidomethyl)phenyl]methyl]-N-methyl-1-phenylmethanamine.

Molecular Properties

Compound NameN-[[4-(azidomethyl)phenyl]methyl]-N-methyl-1-phenylmethanamine
PubChem CID53231791
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC NameN-[[4-(azidomethyl)phenyl]methyl]-N-methyl-1-phenylmethanamine
SMILESCN(Cc1ccccc1)Cc1ccc(CN=[N+]=[N-])cc1
InChIInChI=1S/C16H18N4/c1-20(12-15-5-3-2-4-6-15)13-16-9-7-14(8-10-16)11-18-19-17/h2-10H,11-13H2,1H3
InChIKeyVRHHKWTXHOBZET-UHFFFAOYSA-N
XLogP4.13
TPSA52.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 54.13
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N-[[4-(azidomethyl)phenyl]methyl]-N-methyl-1-phenylmethanamine?
The IUPAC name of N-[[4-(azidomethyl)phenyl]methyl]-N-methyl-1-phenylmethanamine (CID 53231791) is N-[[4-(azidomethyl)phenyl]methyl]-N-methyl-1-phenylmethanamine.
What is the SMILES notation for N-[[4-(azidomethyl)phenyl]methyl]-N-methyl-1-phenylmethanamine?
The canonical SMILES for N-[[4-(azidomethyl)phenyl]methyl]-N-methyl-1-phenylmethanamine is CN(Cc1ccccc1)Cc1ccc(CN=[N+]=[N-])cc1.
What is the InChIKey of N-[[4-(azidomethyl)phenyl]methyl]-N-methyl-1-phenylmethanamine?
The InChIKey is VRHHKWTXHOBZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-20(12-15-5-3-2-4-6-15)13-16-9-7-14(8-10-16)11-18-19-17/h2-10H,11-13H2,1H3.
What are the key properties of N-[[4-(azidomethyl)phenyl]methyl]-N-methyl-1-phenylmethanamine?
N-[[4-(azidomethyl)phenyl]methyl]-N-methyl-1-phenylmethanamine has a molecular weight of 266.35 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(azidomethyl)phenyl]methyl]-N-methyl-1-phenylmethanamine is sourced from PubChem (CID 53231791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).