3-[1-(2-ethoxyphenyl)ethylamino]-4-methylpentan-1-ol

C16H27NO2 — CID 103786537

IUPAC3-[1-(2-ethoxyphenyl)ethylamino]-4-methylpentan-1-ol
SMILESCCOc1ccccc1C(C)NC(CCO)C(C)C
InChIInChI=1S/C16H27NO2/c1-5-19-16-9-7-6-8-14(16)13(4)17-15(10-11-18)12(2)3/h6-9,12-13,15,17-18H,5,10-11H2,1-4H3
InChIKeyUZERXNPRGQWVJO-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.14
Rot. Bonds8

About 3-[1-(2-ethoxyphenyl)ethylamino]-4-methylpentan-1-ol

3-[1-(2-ethoxyphenyl)ethylamino]-4-methylpentan-1-ol (PubChem CID 103786537) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-[1-(2-ethoxyphenyl)ethylamino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-[1-(2-ethoxyphenyl)ethylamino]-4-methylpentan-1-ol
PubChem CID103786537
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name3-[1-(2-ethoxyphenyl)ethylamino]-4-methylpentan-1-ol
SMILESCCOc1ccccc1C(C)NC(CCO)C(C)C
InChIInChI=1S/C16H27NO2/c1-5-19-16-9-7-6-8-14(16)13(4)17-15(10-11-18)12(2)3/h6-9,12-13,15,17-18H,5,10-11H2,1-4H3
InChIKeyUZERXNPRGQWVJO-UHFFFAOYSA-N
XLogP3.14
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[1-(2-ethoxyphenyl)ethylamino]-4-methylpentan-1-ol 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-[1-(2-ethoxyphenyl)ethyl]-1-methoxy-3-methylbutan-2-amine
CID 65050188
3-[1-(2-ethoxyphenyl)ethylamino]-4-methoxybutan-1-ol
CID 103785533
3-[1-(2-chlorophenyl)ethylamino]-4-methylpentan-1-ol
CID 113250283
(2S)-2-[1-(2-ethoxyphenyl)ethylamino]butan-1-ol
CID 104980453
N-[1-(2-methoxyphenyl)ethyl]-2-methylpentan-3-amine
CID 43766762
3-[[1-(2-ethoxyphenyl)ethylamino]methyl]hexan-1-ol
CID 103787460
N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-ethoxyphenyl)ethanamine
CID 81379133
1-(2-ethoxyphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 81400310
N-[1-(2-ethoxyphenyl)ethyl]but-3-yn-2-amine
CID 114414920
5-[1-(2-ethoxyphenyl)ethylamino]pentan-1-ol
CID 113350527
N-[1-(2-ethoxyphenyl)ethyl]hex-1-yn-3-amine
CID 106226015
(2R)-1-[1-(2-ethoxyphenyl)ethylamino]propan-2-ol
CID 103906642

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-ethoxyphenyl)ethylamino]-4-methylpentan-1-ol?
The IUPAC name of 3-[1-(2-ethoxyphenyl)ethylamino]-4-methylpentan-1-ol (CID 103786537) is 3-[1-(2-ethoxyphenyl)ethylamino]-4-methylpentan-1-ol.
What is the SMILES notation for 3-[1-(2-ethoxyphenyl)ethylamino]-4-methylpentan-1-ol?
The canonical SMILES for 3-[1-(2-ethoxyphenyl)ethylamino]-4-methylpentan-1-ol is CCOc1ccccc1C(C)NC(CCO)C(C)C.
What is the InChIKey of 3-[1-(2-ethoxyphenyl)ethylamino]-4-methylpentan-1-ol?
The InChIKey is UZERXNPRGQWVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-19-16-9-7-6-8-14(16)13(4)17-15(10-11-18)12(2)3/h6-9,12-13,15,17-18H,5,10-11H2,1-4H3.
What are the key properties of 3-[1-(2-ethoxyphenyl)ethylamino]-4-methylpentan-1-ol?
3-[1-(2-ethoxyphenyl)ethylamino]-4-methylpentan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-ethoxyphenyl)ethylamino]-4-methylpentan-1-ol is sourced from PubChem (CID 103786537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).