(2S)-2-[1-(2-ethoxyphenyl)ethylamino]butan-1-ol

C14H23NO2 — CID 104980453

IUPAC(2S)-2-[1-(2-ethoxyphenyl)ethylamino]butan-1-ol
SMILESCCOc1ccccc1C(C)N[C@@H](CC)CO
InChIInChI=1S/C14H23NO2/c1-4-12(10-16)15-11(3)13-8-6-7-9-14(13)17-5-2/h6-9,11-12,15-16H,4-5,10H2,1-3H3/t11?,12-/m0/s1
InChIKeyCXGLHZVBADMGBW-KIYNQFGBSA-N
MW237.34 g/mol
LogP2.51
Rot. Bonds7

About (2S)-2-[1-(2-ethoxyphenyl)ethylamino]butan-1-ol

(2S)-2-[1-(2-ethoxyphenyl)ethylamino]butan-1-ol (PubChem CID 104980453) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is (2S)-2-[1-(2-ethoxyphenyl)ethylamino]butan-1-ol.

Molecular Properties

Compound Name(2S)-2-[1-(2-ethoxyphenyl)ethylamino]butan-1-ol
PubChem CID104980453
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name(2S)-2-[1-(2-ethoxyphenyl)ethylamino]butan-1-ol
SMILESCCOc1ccccc1C(C)N[C@@H](CC)CO
InChIInChI=1S/C14H23NO2/c1-4-12(10-16)15-11(3)13-8-6-7-9-14(13)17-5-2/h6-9,11-12,15-16H,4-5,10H2,1-3H3/t11?,12-/m0/s1
InChIKeyCXGLHZVBADMGBW-KIYNQFGBSA-N
XLogP2.51
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[1-(2-ethoxyphenyl)ethylamino]butan-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

2-[1-[2-(difluoromethoxy)phenyl]ethylamino]butan-1-ol
CID 43207134
3-[1-(2-ethoxyphenyl)ethylamino]-4-methoxybutan-1-ol
CID 103785533
2-[1-(2-methylphenyl)ethylamino]butan-1-ol
CID 43207147
(2R)-2-[[(1S)-1-(2-methylphenyl)ethyl]amino]butan-1-ol
CID 28724030
1-(2-ethoxyphenyl)-2-(1-hydroxybutan-2-ylamino)propan-1-one
CID 82101058
3-[1-(2-ethoxyphenyl)ethylamino]-4-methylpentan-1-ol
CID 103786537
N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-ethoxyphenyl)ethanamine
CID 81379133
N-[1-(2-ethoxyphenyl)ethyl]but-3-yn-2-amine
CID 114414920
(2S)-N-[(1S)-1-(2-propoxyphenyl)ethyl]butan-2-amine
CID 100556071
N-[1-(2-methoxyphenyl)ethyl]-1-methylsulfanylbutan-2-amine
CID 113350914
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 (2S)-2-[1-(2-ethoxyphenyl)ethylamino]butan-1-ol?
The IUPAC name of (2S)-2-[1-(2-ethoxyphenyl)ethylamino]butan-1-ol (CID 104980453) is (2S)-2-[1-(2-ethoxyphenyl)ethylamino]butan-1-ol.
What is the SMILES notation for (2S)-2-[1-(2-ethoxyphenyl)ethylamino]butan-1-ol?
The canonical SMILES for (2S)-2-[1-(2-ethoxyphenyl)ethylamino]butan-1-ol is CCOc1ccccc1C(C)N[C@@H](CC)CO.
What is the InChIKey of (2S)-2-[1-(2-ethoxyphenyl)ethylamino]butan-1-ol?
The InChIKey is CXGLHZVBADMGBW-KIYNQFGBSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-12(10-16)15-11(3)13-8-6-7-9-14(13)17-5-2/h6-9,11-12,15-16H,4-5,10H2,1-3H3/t11?,12-/m0/s1.
What are the key properties of (2S)-2-[1-(2-ethoxyphenyl)ethylamino]butan-1-ol?
(2S)-2-[1-(2-ethoxyphenyl)ethylamino]butan-1-ol has a molecular weight of 237.34 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-(2-ethoxyphenyl)ethylamino]butan-1-ol is sourced from PubChem (CID 104980453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).