1-[(4-ethoxy-3-methoxyphenyl)methylamino]pentan-2-ol

C15H25NO3 — CID 115623406

IUPAC1-[(4-ethoxy-3-methoxyphenyl)methylamino]pentan-2-ol
SMILESCCCC(O)CNCc1ccc(OCC)c(OC)c1
InChIInChI=1S/C15H25NO3/c1-4-6-13(17)11-16-10-12-7-8-14(19-5-2)15(9-12)18-3/h7-9,13,16-17H,4-6,10-11H2,1-3H3
InChIKeyWJWXKMSNJQEDHT-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.34
Rot. Bonds9

About 1-[(4-ethoxy-3-methoxyphenyl)methylamino]pentan-2-ol

1-[(4-ethoxy-3-methoxyphenyl)methylamino]pentan-2-ol (PubChem CID 115623406) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[(4-ethoxy-3-methoxyphenyl)methylamino]pentan-2-ol.

Molecular Properties

Compound Name1-[(4-ethoxy-3-methoxyphenyl)methylamino]pentan-2-ol
PubChem CID115623406
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-[(4-ethoxy-3-methoxyphenyl)methylamino]pentan-2-ol
SMILESCCCC(O)CNCc1ccc(OCC)c(OC)c1
InChIInChI=1S/C15H25NO3/c1-4-6-13(17)11-16-10-12-7-8-14(19-5-2)15(9-12)18-3/h7-9,13,16-17H,4-6,10-11H2,1-3H3
InChIKeyWJWXKMSNJQEDHT-UHFFFAOYSA-N
XLogP2.34
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-hydroxypentylamino)methyl]-2-methoxyphenol
CID 115978569
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2,2-dimethoxyethanamine
CID 60657358
1-[(3,4-dimethoxyphenyl)methylamino]butan-2-ol
CID 60886428
(2S)-1-[(3-ethoxy-4-methoxyphenyl)methylamino]propan-2-ol
CID 51432607
1-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43205575
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 4717598
N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 4717500
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2,2-dimethoxyethanamine
CID 22226486
2-[(3-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol
CID 4721212
N'-[(4-ethoxy-3-methoxyphenyl)methyl]ethane-1,2-diamine
CID 60887964
1-(4-bromophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]methanamine
CID 60736257
2-[(3-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride
CID 17295735

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethoxy-3-methoxyphenyl)methylamino]pentan-2-ol?
The IUPAC name of 1-[(4-ethoxy-3-methoxyphenyl)methylamino]pentan-2-ol (CID 115623406) is 1-[(4-ethoxy-3-methoxyphenyl)methylamino]pentan-2-ol.
What is the SMILES notation for 1-[(4-ethoxy-3-methoxyphenyl)methylamino]pentan-2-ol?
The canonical SMILES for 1-[(4-ethoxy-3-methoxyphenyl)methylamino]pentan-2-ol is CCCC(O)CNCc1ccc(OCC)c(OC)c1.
What is the InChIKey of 1-[(4-ethoxy-3-methoxyphenyl)methylamino]pentan-2-ol?
The InChIKey is WJWXKMSNJQEDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-4-6-13(17)11-16-10-12-7-8-14(19-5-2)15(9-12)18-3/h7-9,13,16-17H,4-6,10-11H2,1-3H3.
What are the key properties of 1-[(4-ethoxy-3-methoxyphenyl)methylamino]pentan-2-ol?
1-[(4-ethoxy-3-methoxyphenyl)methylamino]pentan-2-ol has a molecular weight of 267.37 g/mol, XLogP of 2.34, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethoxy-3-methoxyphenyl)methylamino]pentan-2-ol is sourced from PubChem (CID 115623406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).