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'}

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Related Compounds

4-(1,2-diphenylethenoxy)-N,N-dimethylbutan-1-amine
CID 57213266
1-[4-(1,2-diphenylethenoxy)butyl]-4-methylpiperazine
CID 57304362
[(Z)-1-ethoxy-2-phenylethenyl]benzene
CID 12610888
[(Z)-1,2-diphenylethenoxy]methylbenzene
CID 134952285
1,2-diphenylethenyl dihydrogen phosphate
CID 57178972
1,2-diphenylethenyl hydrogen sulfite
CID 57013364
6-aminohexyl (E)-3-phenylprop-2-enoate;hydrochloride
CID 19066595
[(1E,3E)-1-butoxy-4-phenylbuta-1,3-dienyl]benzene
CID 87886241
(1-butoxy-4-phenylbuta-1,3-dienyl)benzene
CID 90913634
tribromo-[(Z)-1,2-diphenylethenoxy]germane
CID 132573464
ethyl 4-[2-(2-hydroxyphenyl)-1-phenylethenoxy]butanoate
CID 54544390
2-butoxy-1,3-diphenylprop-2-en-1-one
CID 57177461

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).