2-[(2-ethoxyphenyl)methyl-pentan-3-ylamino]ethanol

C16H27NO2 — CID 62014901

IUPAC2-[(2-ethoxyphenyl)methyl-pentan-3-ylamino]ethanol
SMILESCCOc1ccccc1CN(CCO)C(CC)CC
InChIInChI=1S/C16H27NO2/c1-4-15(5-2)17(11-12-18)13-14-9-7-8-10-16(14)19-6-3/h7-10,15,18H,4-6,11-13H2,1-3H3
InChIKeyAWXYBYFHKSTDDW-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.07
Rot. Bonds9

About 2-[(2-ethoxyphenyl)methyl-pentan-3-ylamino]ethanol

2-[(2-ethoxyphenyl)methyl-pentan-3-ylamino]ethanol (PubChem CID 62014901) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-[(2-ethoxyphenyl)methyl-pentan-3-ylamino]ethanol.

Molecular Properties

Compound Name2-[(2-ethoxyphenyl)methyl-pentan-3-ylamino]ethanol
PubChem CID62014901
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-[(2-ethoxyphenyl)methyl-pentan-3-ylamino]ethanol
SMILESCCOc1ccccc1CN(CCO)C(CC)CC
InChIInChI=1S/C16H27NO2/c1-4-15(5-2)17(11-12-18)13-14-9-7-8-10-16(14)19-6-3/h7-10,15,18H,4-6,11-13H2,1-3H3
InChIKeyAWXYBYFHKSTDDW-UHFFFAOYSA-N
XLogP3.07
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]benzenecarboximidamide
CID 54994276
2-[(2-ethoxyphenyl)methyl-methylamino]propan-1-ol
CID 115877304
2-[2-(2-fluorophenoxy)ethyl-pentan-3-ylamino]ethanol
CID 62015678
2-[[2-(difluoromethoxy)phenyl]methyl-propan-2-ylamino]ethanol
CID 62022111
3-[(2-ethoxyphenyl)methyl-ethylamino]butanoic acid
CID 55122799
2-[1-benzothiophen-3-ylmethyl(pentan-3-yl)amino]ethanol
CID 63738491
methyl 3-[(2-ethoxyphenyl)methyl-methylamino]propanoate
CID 60965925
1-(2-ethoxyphenyl)-N-methanidyl-N-methylmethanamine
CID 59280687
4-amino-2-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]phenol
CID 54994704
3-[cyclobutyl-[(2-ethoxyphenyl)methyl]amino]propan-1-ol
CID 102848832
2-[(2-fluoro-3-methoxyphenyl)methyl-propan-2-ylamino]ethanol
CID 113453837
N-[(2-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide
CID 79200511

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxyphenyl)methyl-pentan-3-ylamino]ethanol?
The IUPAC name of 2-[(2-ethoxyphenyl)methyl-pentan-3-ylamino]ethanol (CID 62014901) is 2-[(2-ethoxyphenyl)methyl-pentan-3-ylamino]ethanol.
What is the SMILES notation for 2-[(2-ethoxyphenyl)methyl-pentan-3-ylamino]ethanol?
The canonical SMILES for 2-[(2-ethoxyphenyl)methyl-pentan-3-ylamino]ethanol is CCOc1ccccc1CN(CCO)C(CC)CC.
What is the InChIKey of 2-[(2-ethoxyphenyl)methyl-pentan-3-ylamino]ethanol?
The InChIKey is AWXYBYFHKSTDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-15(5-2)17(11-12-18)13-14-9-7-8-10-16(14)19-6-3/h7-10,15,18H,4-6,11-13H2,1-3H3.
What are the key properties of 2-[(2-ethoxyphenyl)methyl-pentan-3-ylamino]ethanol?
2-[(2-ethoxyphenyl)methyl-pentan-3-ylamino]ethanol has a molecular weight of 265.40 g/mol, XLogP of 3.07, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxyphenyl)methyl-pentan-3-ylamino]ethanol is sourced from PubChem (CID 62014901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).