1-(2,3-dimethylphenoxy)-N-ethylpentan-2-amine

C15H25NO — CID 62042546

IUPAC1-(2,3-dimethylphenoxy)-N-ethylpentan-2-amine
SMILESCCCC(COc1cccc(C)c1C)NCC
InChIInChI=1S/C15H25NO/c1-5-8-14(16-6-2)11-17-15-10-7-9-12(3)13(15)4/h7,9-10,14,16H,5-6,8,11H2,1-4H3
InChIKeyUFZCNDXBFVHKQV-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.46
Rot. Bonds7

About 1-(2,3-dimethylphenoxy)-N-ethylpentan-2-amine

1-(2,3-dimethylphenoxy)-N-ethylpentan-2-amine (PubChem CID 62042546) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(2,3-dimethylphenoxy)-N-ethylpentan-2-amine.

Molecular Properties

Compound Name1-(2,3-dimethylphenoxy)-N-ethylpentan-2-amine
PubChem CID62042546
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-(2,3-dimethylphenoxy)-N-ethylpentan-2-amine
SMILESCCCC(COc1cccc(C)c1C)NCC
InChIInChI=1S/C15H25NO/c1-5-8-14(16-6-2)11-17-15-10-7-9-12(3)13(15)4/h7,9-10,14,16H,5-6,8,11H2,1-4H3
InChIKeyUFZCNDXBFVHKQV-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-dimethylphenoxy)-N-ethylpentan-2-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

2-(2,3-dimethylphenoxy)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 63476125
1-(2-fluoro-3-methylphenoxy)-N-propylpentan-2-amine
CID 107656960
N-methyl-1-(2-methylphenoxy)pentan-2-amine
CID 62044744
N-ethyl-1-(2,4,6-trimethylphenoxy)pentan-2-amine
CID 62042780
3-(2,3-dimethylphenoxy)-2-(propan-2-ylamino)propan-1-ol
CID 64804810
2-(2,3-dimethylphenoxy)-N-pentan-2-ylacetamide
CID 50945244
1-(2,2-dimethoxyethoxy)-2,3-dimethylbenzene
CID 4198790
3-(2,3-dimethylphenoxy)-2-methylpropanenitrile
CID 43367428
2-(2,3-dimethylphenoxy)-N-ethylethanamine;hydrochloride
CID 75531600
(2R)-1-(2,3-dimethylphenoxy)-N-(2-methoxyethyl)propan-2-amine;hydrochloride
CID 164625864
N-ethyl-1-(2-phenylethoxy)pentan-2-amine
CID 114999655
2-(2,3-dimethylphenoxy)-N-methylpentan-1-amine
CID 83044503

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenoxy)-N-ethylpentan-2-amine?
The IUPAC name of 1-(2,3-dimethylphenoxy)-N-ethylpentan-2-amine (CID 62042546) is 1-(2,3-dimethylphenoxy)-N-ethylpentan-2-amine.
What is the SMILES notation for 1-(2,3-dimethylphenoxy)-N-ethylpentan-2-amine?
The canonical SMILES for 1-(2,3-dimethylphenoxy)-N-ethylpentan-2-amine is CCCC(COc1cccc(C)c1C)NCC.
What is the InChIKey of 1-(2,3-dimethylphenoxy)-N-ethylpentan-2-amine?
The InChIKey is UFZCNDXBFVHKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-8-14(16-6-2)11-17-15-10-7-9-12(3)13(15)4/h7,9-10,14,16H,5-6,8,11H2,1-4H3.
What are the key properties of 1-(2,3-dimethylphenoxy)-N-ethylpentan-2-amine?
1-(2,3-dimethylphenoxy)-N-ethylpentan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenoxy)-N-ethylpentan-2-amine is sourced from PubChem (CID 62042546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).