1-(3-azidopropoxy)-4-propylbenzene

C12H17N3O — CID 62550685

IUPAC1-(3-azidopropoxy)-4-propylbenzene
SMILESCCCc1ccc(OCCCN=[N+]=[N-])cc1
InChIInChI=1S/C12H17N3O/c1-2-4-11-5-7-12(8-6-11)16-10-3-9-14-15-13/h5-8H,2-4,9-10H2,1H3
InChIKeyFUQFMILKUBLJSB-UHFFFAOYSA-N
MW219.29 g/mol
LogP3.72
Rot. Bonds7

About 1-(3-azidopropoxy)-4-propylbenzene

1-(3-azidopropoxy)-4-propylbenzene (PubChem CID 62550685) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-(3-azidopropoxy)-4-propylbenzene.

Molecular Properties

Compound Name1-(3-azidopropoxy)-4-propylbenzene
PubChem CID62550685
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-(3-azidopropoxy)-4-propylbenzene
SMILESCCCc1ccc(OCCCN=[N+]=[N-])cc1
InChIInChI=1S/C12H17N3O/c1-2-4-11-5-7-12(8-6-11)16-10-3-9-14-15-13/h5-8H,2-4,9-10H2,1H3
InChIKeyFUQFMILKUBLJSB-UHFFFAOYSA-N
XLogP3.72
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-azidopropoxy)-4-propylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(4-propylphenoxy)propoxy]aniline
CID 62548380
1-nonoxy-4-propylbenzene
CID 118632119
N-[2-(4-propylphenoxy)ethyl]propan-1-amine
CID 62548210
1-(2-phenylethoxy)-4-propylbenzene
CID 70483798
1-[4-(3-azidopropoxy)phenyl]-2-methylpropan-1-one
CID 168836511
butane;1-(2-phenylethoxy)-4-propylbenzene
CID 142957775
N-ethyl-5-(4-propylphenoxy)pentan-1-amine
CID 62548075
1-hexoxy-4-pentylbenzene
CID 54277450
1-but-3-ynoxy-4-propylbenzene
CID 63654834
N-[2-(4-propylphenoxy)ethyl]pentan-1-amine
CID 63515764
1-butoxy-4-(2-isocyanatoethyl)benzene
CID 87185028
4-(4-azidobutoxy)-2-ethyl-1-(4-ethylphenyl)benzene
CID 170211340

Frequently Asked Questions

What is the IUPAC name of 1-(3-azidopropoxy)-4-propylbenzene?
The IUPAC name of 1-(3-azidopropoxy)-4-propylbenzene (CID 62550685) is 1-(3-azidopropoxy)-4-propylbenzene.
What is the SMILES notation for 1-(3-azidopropoxy)-4-propylbenzene?
The canonical SMILES for 1-(3-azidopropoxy)-4-propylbenzene is CCCc1ccc(OCCCN=[N+]=[N-])cc1.
What is the InChIKey of 1-(3-azidopropoxy)-4-propylbenzene?
The InChIKey is FUQFMILKUBLJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-2-4-11-5-7-12(8-6-11)16-10-3-9-14-15-13/h5-8H,2-4,9-10H2,1H3.
What are the key properties of 1-(3-azidopropoxy)-4-propylbenzene?
1-(3-azidopropoxy)-4-propylbenzene has a molecular weight of 219.29 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-azidopropoxy)-4-propylbenzene is sourced from PubChem (CID 62550685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).