1-[2-ethyl-4-(2-methylpropoxy)phenyl]butan-1-amine

C16H27NO — CID 82551989

IUPAC1-[2-ethyl-4-(2-methylpropoxy)phenyl]butan-1-amine
SMILESCCCC(N)c1ccc(OCC(C)C)cc1CC
InChIInChI=1S/C16H27NO/c1-5-7-16(17)15-9-8-14(10-13(15)6-2)18-11-12(3)4/h8-10,12,16H,5-7,11,17H2,1-4H3
InChIKeyCLHXUVDLUHZUNM-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.08
Rot. Bonds7

About 1-[2-ethyl-4-(2-methylpropoxy)phenyl]butan-1-amine

1-[2-ethyl-4-(2-methylpropoxy)phenyl]butan-1-amine (PubChem CID 82551989) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-[2-ethyl-4-(2-methylpropoxy)phenyl]butan-1-amine.

Molecular Properties

Compound Name1-[2-ethyl-4-(2-methylpropoxy)phenyl]butan-1-amine
PubChem CID82551989
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-[2-ethyl-4-(2-methylpropoxy)phenyl]butan-1-amine
SMILESCCCC(N)c1ccc(OCC(C)C)cc1CC
InChIInChI=1S/C16H27NO/c1-5-7-16(17)15-9-8-14(10-13(15)6-2)18-11-12(3)4/h8-10,12,16H,5-7,11,17H2,1-4H3
InChIKeyCLHXUVDLUHZUNM-UHFFFAOYSA-N
XLogP4.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-ethyl-4-(2-methylpropoxy)phenyl]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

Related Compounds

1-[2-fluoro-5-(2-methylpropoxy)phenyl]butan-1-amine
CID 83988832
3-amino-3-(4-ethoxy-2-ethylphenyl)propanoic acid
CID 3563423
1-(2,4-dipropoxyphenyl)butan-1-amine
CID 82551376
1-[2,5-dimethyl-4-(2-methylpropoxy)phenyl]butan-1-amine
CID 82552270
2-methyl-1-[4-(2-methylpropoxy)phenyl]pentan-1-amine
CID 107886407
1-ethyl-4-(2-methylpropoxy)-2-propan-2-yloxybenzene
CID 123447747
1-(2-ethyl-4-propan-2-yloxyphenyl)ethanamine
CID 82267415
2-(1-amino-3-methylbutyl)-4-(2-methylpropoxy)aniline
CID 83988070
1-(2-methyl-4-propan-2-yloxyphenyl)butan-1-amine
CID 82553641
3-[2-ethyl-4-(2-methylpropoxy)phenyl]propanoic acid
CID 82551979
1-[2-chloro-4-(2-methylpentoxy)phenyl]ethanamine
CID 103284016
4-(4-ethoxy-2-ethylphenyl)pentanenitrile
CID 83941706

Frequently Asked Questions

What is the IUPAC name of 1-[2-ethyl-4-(2-methylpropoxy)phenyl]butan-1-amine?
The IUPAC name of 1-[2-ethyl-4-(2-methylpropoxy)phenyl]butan-1-amine (CID 82551989) is 1-[2-ethyl-4-(2-methylpropoxy)phenyl]butan-1-amine.
What is the SMILES notation for 1-[2-ethyl-4-(2-methylpropoxy)phenyl]butan-1-amine?
The canonical SMILES for 1-[2-ethyl-4-(2-methylpropoxy)phenyl]butan-1-amine is CCCC(N)c1ccc(OCC(C)C)cc1CC.
What is the InChIKey of 1-[2-ethyl-4-(2-methylpropoxy)phenyl]butan-1-amine?
The InChIKey is CLHXUVDLUHZUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-7-16(17)15-9-8-14(10-13(15)6-2)18-11-12(3)4/h8-10,12,16H,5-7,11,17H2,1-4H3.
What are the key properties of 1-[2-ethyl-4-(2-methylpropoxy)phenyl]butan-1-amine?
1-[2-ethyl-4-(2-methylpropoxy)phenyl]butan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-ethyl-4-(2-methylpropoxy)phenyl]butan-1-amine is sourced from PubChem (CID 82551989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).