1-(4-ethoxyphenyl)-N,N-diethylbutan-1-amine

C16H27NO — CID 23618972

IUPAC1-(4-ethoxyphenyl)-N,N-diethylbutan-1-amine
SMILESCCCC(c1ccc(OCC)cc1)N(CC)CC
InChIInChI=1S/C16H27NO/c1-5-9-16(17(6-2)7-3)14-10-12-15(13-11-14)18-8-4/h10-13,16H,5-9H2,1-4H3
InChIKeyMCMDZOBYKFZGPC-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.27
Rot. Bonds8

About 1-(4-ethoxyphenyl)-N,N-diethylbutan-1-amine

1-(4-ethoxyphenyl)-N,N-diethylbutan-1-amine (PubChem CID 23618972) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N,N-diethylbutan-1-amine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N,N-diethylbutan-1-amine
PubChem CID23618972
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-(4-ethoxyphenyl)-N,N-diethylbutan-1-amine
SMILESCCCC(c1ccc(OCC)cc1)N(CC)CC
InChIInChI=1S/C16H27NO/c1-5-9-16(17(6-2)7-3)14-10-12-15(13-11-14)18-8-4/h10-13,16H,5-9H2,1-4H3
InChIKeyMCMDZOBYKFZGPC-UHFFFAOYSA-N
XLogP4.27
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-ethoxyphenyl)-N,N-diethylbutan-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

Related Compounds

1-(4-ethoxyphenyl)-N-ethyl-N-(2-ethylbutyl)ethane-1,2-diamine
CID 61437255
N,N-diethyl-1-(4-pentoxyphenyl)ethane-1,2-diamine
CID 82043554
2-(4-ethoxyphenyl)pentan-1-amine
CID 112507782
4-(dimethylamino)-4-(4-ethoxyphenyl)butan-1-ol
CID 116907779
N-[1-(4-ethoxyphenyl)ethyl]pentan-2-amine
CID 43191473
N-[(2-chlorophenyl)-(4-ethoxyphenyl)methyl]-N-ethylethanamine
CID 134256557
2-(4-ethoxyphenyl)propanedial
CID 3698706
1-(4-ethoxyphenyl)-N-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 61439040
1-(4-ethoxyphenyl)-N-ethyl-2-methylpentan-1-amine
CID 43489418
2-(4-ethoxyphenyl)-N-ethylhexan-3-amine
CID 83051116
(1S)-1-(4-ethoxyphenyl)pentan-1-amine;hydrochloride
CID 171220237
3-[[carboxy-(4-ethoxyphenyl)methyl]-ethylamino]propanoic acid
CID 82345083

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N,N-diethylbutan-1-amine?
The IUPAC name of 1-(4-ethoxyphenyl)-N,N-diethylbutan-1-amine (CID 23618972) is 1-(4-ethoxyphenyl)-N,N-diethylbutan-1-amine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N,N-diethylbutan-1-amine?
The canonical SMILES for 1-(4-ethoxyphenyl)-N,N-diethylbutan-1-amine is CCCC(c1ccc(OCC)cc1)N(CC)CC.
What is the InChIKey of 1-(4-ethoxyphenyl)-N,N-diethylbutan-1-amine?
The InChIKey is MCMDZOBYKFZGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-9-16(17(6-2)7-3)14-10-12-15(13-11-14)18-8-4/h10-13,16H,5-9H2,1-4H3.
What are the key properties of 1-(4-ethoxyphenyl)-N,N-diethylbutan-1-amine?
1-(4-ethoxyphenyl)-N,N-diethylbutan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 4.27, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-N,N-diethylbutan-1-amine is sourced from PubChem (CID 23618972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).