5-[2-(3-imidazol-1-ylpropylamino)ethyl]-2-propoxyaniline

C17H26N4O — CID 82257655

IUPAC5-[2-(3-imidazol-1-ylpropylamino)ethyl]-2-propoxyaniline
SMILESCCCOc1ccc(CCNCCCn2ccnc2)cc1N
InChIInChI=1S/C17H26N4O/c1-2-12-22-17-5-4-15(13-16(17)18)6-8-19-7-3-10-21-11-9-20-14-21/h4-5,9,11,13-14,19H,2-3,6-8,10,12,18H2,1H3
InChIKeyUAUXWNPFQFCMDE-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.48
Rot. Bonds10

About 5-[2-(3-imidazol-1-ylpropylamino)ethyl]-2-propoxyaniline

5-[2-(3-imidazol-1-ylpropylamino)ethyl]-2-propoxyaniline (PubChem CID 82257655) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 5-[2-(3-imidazol-1-ylpropylamino)ethyl]-2-propoxyaniline.

Molecular Properties

Compound Name5-[2-(3-imidazol-1-ylpropylamino)ethyl]-2-propoxyaniline
PubChem CID82257655
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name5-[2-(3-imidazol-1-ylpropylamino)ethyl]-2-propoxyaniline
SMILESCCCOc1ccc(CCNCCCn2ccnc2)cc1N
InChIInChI=1S/C17H26N4O/c1-2-12-22-17-5-4-15(13-16(17)18)6-8-19-7-3-10-21-11-9-20-14-21/h4-5,9,11,13-14,19H,2-3,6-8,10,12,18H2,1H3
InChIKeyUAUXWNPFQFCMDE-UHFFFAOYSA-N
XLogP2.48
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-[2-(3-imidazol-1-ylpropylamino)ethyl]-2-propoxyaniline 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

N-[(3-bromo-4-propoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 29222813
5-[2-(3-butoxypropylamino)ethyl]-2-propoxyaniline
CID 95408697
3-(3-amino-4-ethoxyphenyl)-N-(3-imidazol-1-ylpropyl)propanamide
CID 94759078
5-[2-(3-morpholin-4-ylpropylamino)ethyl]-2-propoxyaniline
CID 95408695
5-[2-(2-phenylethylamino)ethyl]-2-propoxyaniline
CID 82257627
N-[2-(4-butylphenoxy)ethyl]-3-imidazol-1-ylpropan-1-amine
CID 18349593
N-[(5-bromo-2-propoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 29224809
3-(3-amino-4-methoxyphenyl)-N-(3-imidazol-1-ylpropyl)propanamide
CID 82152650
5-[3-(3-propan-2-yloxypropylamino)propyl]-2-propoxyaniline
CID 94759793
5-[2-(propan-2-ylamino)ethyl]-2-propoxyaniline
CID 82257616
N'-(3-imidazol-1-ylpropyl)-N-propylethane-1,2-diamine
CID 53216159
2-ethoxy-4-[(3-imidazol-1-ylpropylamino)methyl]phenol
CID 28832019

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-imidazol-1-ylpropylamino)ethyl]-2-propoxyaniline?
The IUPAC name of 5-[2-(3-imidazol-1-ylpropylamino)ethyl]-2-propoxyaniline (CID 82257655) is 5-[2-(3-imidazol-1-ylpropylamino)ethyl]-2-propoxyaniline.
What is the SMILES notation for 5-[2-(3-imidazol-1-ylpropylamino)ethyl]-2-propoxyaniline?
The canonical SMILES for 5-[2-(3-imidazol-1-ylpropylamino)ethyl]-2-propoxyaniline is CCCOc1ccc(CCNCCCn2ccnc2)cc1N.
What is the InChIKey of 5-[2-(3-imidazol-1-ylpropylamino)ethyl]-2-propoxyaniline?
The InChIKey is UAUXWNPFQFCMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-2-12-22-17-5-4-15(13-16(17)18)6-8-19-7-3-10-21-11-9-20-14-21/h4-5,9,11,13-14,19H,2-3,6-8,10,12,18H2,1H3.
What are the key properties of 5-[2-(3-imidazol-1-ylpropylamino)ethyl]-2-propoxyaniline?
5-[2-(3-imidazol-1-ylpropylamino)ethyl]-2-propoxyaniline has a molecular weight of 302.42 g/mol, XLogP of 2.48, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-imidazol-1-ylpropylamino)ethyl]-2-propoxyaniline is sourced from PubChem (CID 82257655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).