3-(3-ethylphenoxy)-N-propan-2-ylbutan-1-amine

C15H25NO — CID 114999658

IUPAC3-(3-ethylphenoxy)-N-propan-2-ylbutan-1-amine
SMILESCCc1cccc(OC(C)CCNC(C)C)c1
InChIInChI=1S/C15H25NO/c1-5-14-7-6-8-15(11-14)17-13(4)9-10-16-12(2)3/h6-8,11-13,16H,5,9-10H2,1-4H3
InChIKeyGODLTHRPNJGYSV-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.40
Rot. Bonds7

About 3-(3-ethylphenoxy)-N-propan-2-ylbutan-1-amine

3-(3-ethylphenoxy)-N-propan-2-ylbutan-1-amine (PubChem CID 114999658) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 3-(3-ethylphenoxy)-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-(3-ethylphenoxy)-N-propan-2-ylbutan-1-amine
PubChem CID114999658
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name3-(3-ethylphenoxy)-N-propan-2-ylbutan-1-amine
SMILESCCc1cccc(OC(C)CCNC(C)C)c1
InChIInChI=1S/C15H25NO/c1-5-14-7-6-8-15(11-14)17-13(4)9-10-16-12(2)3/h6-8,11-13,16H,5,9-10H2,1-4H3
InChIKeyGODLTHRPNJGYSV-UHFFFAOYSA-N
XLogP3.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(3-ethylphenoxy)-N-propan-2-ylbutan-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

N-[[3-(3-ethylphenoxy)phenyl]methyl]propan-2-amine
CID 63943086
4-(3-methylphenoxy)-N-propan-2-ylpentan-1-amine
CID 62452888
1-(3-ethylphenoxy)ethanol
CID 66709778
ethane;1-ethyl-3-(1-fluoroethoxy)benzene
CID 170603835
2-[3-(methoxymethyl)phenoxy]-N-propan-2-ylpropan-1-amine
CID 63986199
4-(3-ethylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64707593
(2S)-2-(3-ethylphenoxy)propanoic acid
CID 10845483
2-(3-pentan-2-yloxyphenyl)ethanamine
CID 107885455
N-[(3-butan-2-yloxyphenyl)methyl]butan-2-amine
CID 54849222
2-methyl-N-[(3-pentan-2-yloxyphenyl)methyl]propan-1-amine
CID 107890981
4-(3-ethylphenoxy)-2-methyl-2-(propylamino)pentanoic acid
CID 64706561
4-(3-ethylphenoxy)-2-methyl-2-(methylamino)pentanoic acid
CID 64706563

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylphenoxy)-N-propan-2-ylbutan-1-amine?
The IUPAC name of 3-(3-ethylphenoxy)-N-propan-2-ylbutan-1-amine (CID 114999658) is 3-(3-ethylphenoxy)-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3-(3-ethylphenoxy)-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 3-(3-ethylphenoxy)-N-propan-2-ylbutan-1-amine is CCc1cccc(OC(C)CCNC(C)C)c1.
What is the InChIKey of 3-(3-ethylphenoxy)-N-propan-2-ylbutan-1-amine?
The InChIKey is GODLTHRPNJGYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-14-7-6-8-15(11-14)17-13(4)9-10-16-12(2)3/h6-8,11-13,16H,5,9-10H2,1-4H3.
What are the key properties of 3-(3-ethylphenoxy)-N-propan-2-ylbutan-1-amine?
3-(3-ethylphenoxy)-N-propan-2-ylbutan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylphenoxy)-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 114999658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).