1-amino-4-ethyl-2-(4-methoxyphenyl)hexan-3-ol

C15H25NO2 — CID 65185548

IUPAC1-amino-4-ethyl-2-(4-methoxyphenyl)hexan-3-ol
SMILESCCC(CC)C(O)C(CN)c1ccc(OC)cc1
InChIInChI=1S/C15H25NO2/c1-4-11(5-2)15(17)14(10-16)12-6-8-13(18-3)9-7-12/h6-9,11,14-15,17H,4-5,10,16H2,1-3H3
InChIKeyDWLSOGXQYAHLQJ-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.53
Rot. Bonds7

About 1-amino-4-ethyl-2-(4-methoxyphenyl)hexan-3-ol

1-amino-4-ethyl-2-(4-methoxyphenyl)hexan-3-ol (PubChem CID 65185548) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-amino-4-ethyl-2-(4-methoxyphenyl)hexan-3-ol.

Molecular Properties

Compound Name1-amino-4-ethyl-2-(4-methoxyphenyl)hexan-3-ol
PubChem CID65185548
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-amino-4-ethyl-2-(4-methoxyphenyl)hexan-3-ol
SMILESCCC(CC)C(O)C(CN)c1ccc(OC)cc1
InChIInChI=1S/C15H25NO2/c1-4-11(5-2)15(17)14(10-16)12-6-8-13(18-3)9-7-12/h6-9,11,14-15,17H,4-5,10,16H2,1-3H3
InChIKeyDWLSOGXQYAHLQJ-UHFFFAOYSA-N
XLogP2.53
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-4-ethyl-2-(4-methylphenyl)hexan-3-ol
CID 65187944
1-amino-2-(4-bromophenyl)-4-ethylhexan-3-ol
CID 65186016
(2S)-2-(4-methoxyphenyl)butan-1-amine
CID 15215732
1-amino-4-cyclopropyl-2-(4-methoxyphenyl)pentan-3-ol
CID 83151816
2-(4-methoxyphenyl)propane-1,3-diamine
CID 20546608
1-amino-3-(4-methoxyphenyl)butan-2-ol
CID 82076051
1-amino-2-(3,4-dimethylphenyl)-4-ethylhexan-3-ol
CID 65188522
3-amino-1-cyclopentyl-2-(4-methoxyphenyl)propan-1-ol
CID 65185701
3-amino-1-cycloheptyl-2-(4-methoxyphenyl)propan-1-ol
CID 65185399
3-amino-1-(3,5-difluorophenyl)-2-(4-methoxyphenyl)propan-1-ol
CID 65185300
3-amino-2-(4-methoxyphenyl)propan-1-ol
CID 75251632
(2S)-3-amino-2-(4-methoxyphenyl)propan-1-ol
CID 46911827

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-ethyl-2-(4-methoxyphenyl)hexan-3-ol?
The IUPAC name of 1-amino-4-ethyl-2-(4-methoxyphenyl)hexan-3-ol (CID 65185548) is 1-amino-4-ethyl-2-(4-methoxyphenyl)hexan-3-ol.
What is the SMILES notation for 1-amino-4-ethyl-2-(4-methoxyphenyl)hexan-3-ol?
The canonical SMILES for 1-amino-4-ethyl-2-(4-methoxyphenyl)hexan-3-ol is CCC(CC)C(O)C(CN)c1ccc(OC)cc1.
What is the InChIKey of 1-amino-4-ethyl-2-(4-methoxyphenyl)hexan-3-ol?
The InChIKey is DWLSOGXQYAHLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-11(5-2)15(17)14(10-16)12-6-8-13(18-3)9-7-12/h6-9,11,14-15,17H,4-5,10,16H2,1-3H3.
What are the key properties of 1-amino-4-ethyl-2-(4-methoxyphenyl)hexan-3-ol?
1-amino-4-ethyl-2-(4-methoxyphenyl)hexan-3-ol has a molecular weight of 251.37 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-ethyl-2-(4-methoxyphenyl)hexan-3-ol is sourced from PubChem (CID 65185548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).