4-[[(4-azidophenyl)methyl-methylamino]methyl]aniline

C15H17N5 — CID 54073045

IUPAC4-[[(4-azidophenyl)methyl-methylamino]methyl]aniline
SMILESCN(Cc1ccc(N)cc1)Cc1ccc(N=[N+]=[N-])cc1
InChIInChI=1S/C15H17N5/c1-20(10-12-2-6-14(16)7-3-12)11-13-4-8-15(9-5-13)18-19-17/h2-9H,10-11,16H2,1H3
InChIKeyMHUSQBQLHUXHRV-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.84
Rot. Bonds5

About 4-[[(4-azidophenyl)methyl-methylamino]methyl]aniline

4-[[(4-azidophenyl)methyl-methylamino]methyl]aniline (PubChem CID 54073045) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 4-[[(4-azidophenyl)methyl-methylamino]methyl]aniline.

Molecular Properties

Compound Name4-[[(4-azidophenyl)methyl-methylamino]methyl]aniline
PubChem CID54073045
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name4-[[(4-azidophenyl)methyl-methylamino]methyl]aniline
SMILESCN(Cc1ccc(N)cc1)Cc1ccc(N=[N+]=[N-])cc1
InChIInChI=1S/C15H17N5/c1-20(10-12-2-6-14(16)7-3-12)11-13-4-8-15(9-5-13)18-19-17/h2-9H,10-11,16H2,1H3
InChIKeyMHUSQBQLHUXHRV-UHFFFAOYSA-N
XLogP3.84
TPSA78.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

4-[[(4-ethylphenyl)methyl-methylamino]methyl]aniline
CID 43587265
N-[[4-(azidomethyl)phenyl]methyl]-N-methyl-1-phenylmethanamine
CID 53231791
4-[[methyl(propyl)amino]methyl]aniline
CID 23506800
4-azido-N,N-dimethylaniline
CID 584035
2-[(4-aminophenyl)methyl-methylamino]ethanol
CID 23507043
4-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]aniline
CID 43458300
N'-[(4-aminophenyl)methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 23507168
4-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]aniline
CID 61481760
4-[[methyl(2-methylsulfonylethyl)amino]methyl]aniline
CID 60917459
1-azido-4-(18F)fluorobenzene
CID 15186747
4-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline
CID 43458236
4-[[(4-aminophenyl)methyl-propan-2-ylamino]methyl]aniline
CID 59540436

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-azidophenyl)methyl-methylamino]methyl]aniline?
The IUPAC name of 4-[[(4-azidophenyl)methyl-methylamino]methyl]aniline (CID 54073045) is 4-[[(4-azidophenyl)methyl-methylamino]methyl]aniline.
What is the SMILES notation for 4-[[(4-azidophenyl)methyl-methylamino]methyl]aniline?
The canonical SMILES for 4-[[(4-azidophenyl)methyl-methylamino]methyl]aniline is CN(Cc1ccc(N)cc1)Cc1ccc(N=[N+]=[N-])cc1.
What is the InChIKey of 4-[[(4-azidophenyl)methyl-methylamino]methyl]aniline?
The InChIKey is MHUSQBQLHUXHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-20(10-12-2-6-14(16)7-3-12)11-13-4-8-15(9-5-13)18-19-17/h2-9H,10-11,16H2,1H3.
What are the key properties of 4-[[(4-azidophenyl)methyl-methylamino]methyl]aniline?
4-[[(4-azidophenyl)methyl-methylamino]methyl]aniline has a molecular weight of 267.34 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-azidophenyl)methyl-methylamino]methyl]aniline is sourced from PubChem (CID 54073045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).