4-(1,2-diphenylethenoxy)butan-1-amine

C18H21NO — CID 57175242

IUPAC4-(1,2-diphenylethenoxy)butan-1-amine
SMILESNCCCCOC(=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO/c19-13-7-8-14-20-18(17-11-5-2-6-12-17)15-16-9-3-1-4-10-16/h1-6,9-12,15H,7-8,13-14,19H2
InChIKeySJLDZPBRYFFCCQ-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.94
Rot. Bonds7

About 4-(1,2-diphenylethenoxy)butan-1-amine

4-(1,2-diphenylethenoxy)butan-1-amine (PubChem CID 57175242) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-(1,2-diphenylethenoxy)butan-1-amine.

Molecular Properties

Compound Name4-(1,2-diphenylethenoxy)butan-1-amine
PubChem CID57175242
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name4-(1,2-diphenylethenoxy)butan-1-amine
SMILESNCCCCOC(=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO/c19-13-7-8-14-20-18(17-11-5-2-6-12-17)15-16-9-3-1-4-10-16/h1-6,9-12,15H,7-8,13-14,19H2
InChIKeySJLDZPBRYFFCCQ-UHFFFAOYSA-N
XLogP3.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 4-(1,2-diphenylethenoxy)butan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1,2-diphenylethenoxy)butan-1-amine?
The IUPAC name of 4-(1,2-diphenylethenoxy)butan-1-amine (CID 57175242) is 4-(1,2-diphenylethenoxy)butan-1-amine.
What is the SMILES notation for 4-(1,2-diphenylethenoxy)butan-1-amine?
The canonical SMILES for 4-(1,2-diphenylethenoxy)butan-1-amine is NCCCCOC(=Cc1ccccc1)c1ccccc1.
What is the InChIKey of 4-(1,2-diphenylethenoxy)butan-1-amine?
The InChIKey is SJLDZPBRYFFCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c19-13-7-8-14-20-18(17-11-5-2-6-12-17)15-16-9-3-1-4-10-16/h1-6,9-12,15H,7-8,13-14,19H2.
What are the key properties of 4-(1,2-diphenylethenoxy)butan-1-amine?
4-(1,2-diphenylethenoxy)butan-1-amine has a molecular weight of 267.37 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-diphenylethenoxy)butan-1-amine is sourced from PubChem (CID 57175242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).