3-[[1-(2-ethoxyphenyl)ethylamino]methyl]hexan-1-ol

C17H29NO2 — CID 103787460

IUPAC3-[[1-(2-ethoxyphenyl)ethylamino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNC(C)c1ccccc1OCC
InChIInChI=1S/C17H29NO2/c1-4-8-15(11-12-19)13-18-14(3)16-9-6-7-10-17(16)20-5-2/h6-7,9-10,14-15,18-19H,4-5,8,11-13H2,1-3H3
InChIKeyRNKPBFFVPIJQFI-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.53
Rot. Bonds10

About 3-[[1-(2-ethoxyphenyl)ethylamino]methyl]hexan-1-ol

3-[[1-(2-ethoxyphenyl)ethylamino]methyl]hexan-1-ol (PubChem CID 103787460) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 3-[[1-(2-ethoxyphenyl)ethylamino]methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[[1-(2-ethoxyphenyl)ethylamino]methyl]hexan-1-ol
PubChem CID103787460
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name3-[[1-(2-ethoxyphenyl)ethylamino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNC(C)c1ccccc1OCC
InChIInChI=1S/C17H29NO2/c1-4-8-15(11-12-19)13-18-14(3)16-9-6-7-10-17(16)20-5-2/h6-7,9-10,14-15,18-19H,4-5,8,11-13H2,1-3H3
InChIKeyRNKPBFFVPIJQFI-UHFFFAOYSA-N
XLogP3.53
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[1-(2-ethoxyphenyl)ethylamino]propan-2-ol
CID 103906642
3-[1-(2-ethoxyphenyl)ethylamino]-4-methylpentan-1-ol
CID 103786537
5-[1-(2-ethoxyphenyl)ethylamino]pentan-1-ol
CID 113350527
3-[[(3-ethoxy-2-pyridinyl)amino]methyl]hexan-1-ol
CID 106115743
2-[1-[2-(2-hydroxyethyl)pentylamino]ethyl]benzene-1,3-diol
CID 106114744
4-[1-(2-methoxyphenyl)ethylamino]-3-methylbutan-1-ol
CID 66092261
3-[1-(2-ethoxyphenyl)ethylamino]-4-methoxybutan-1-ol
CID 103785533
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpentan-1-amine
CID 81397104
N-[1-(2-ethoxyphenyl)ethyl]-2-methylsulfinylpropan-1-amine
CID 115896056
5-[1-(2-ethoxyphenyl)ethylamino]pentan-2-ol
CID 107270389
3-[[1-(2,4-dichlorophenyl)ethylamino]methyl]hexan-1-ol
CID 103787405
N-[1-(2-ethoxyphenyl)ethyl]-3-methylbut-2-en-1-amine
CID 113350530

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-ethoxyphenyl)ethylamino]methyl]hexan-1-ol?
The IUPAC name of 3-[[1-(2-ethoxyphenyl)ethylamino]methyl]hexan-1-ol (CID 103787460) is 3-[[1-(2-ethoxyphenyl)ethylamino]methyl]hexan-1-ol.
What is the SMILES notation for 3-[[1-(2-ethoxyphenyl)ethylamino]methyl]hexan-1-ol?
The canonical SMILES for 3-[[1-(2-ethoxyphenyl)ethylamino]methyl]hexan-1-ol is CCCC(CCO)CNC(C)c1ccccc1OCC.
What is the InChIKey of 3-[[1-(2-ethoxyphenyl)ethylamino]methyl]hexan-1-ol?
The InChIKey is RNKPBFFVPIJQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-4-8-15(11-12-19)13-18-14(3)16-9-6-7-10-17(16)20-5-2/h6-7,9-10,14-15,18-19H,4-5,8,11-13H2,1-3H3.
What are the key properties of 3-[[1-(2-ethoxyphenyl)ethylamino]methyl]hexan-1-ol?
3-[[1-(2-ethoxyphenyl)ethylamino]methyl]hexan-1-ol has a molecular weight of 279.42 g/mol, XLogP of 3.53, 10 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]methyl]hexan-1-ol is sourced from PubChem (CID 103787460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).