2-amino-5-(4-ethoxyphenyl)hexan-3-ol

C14H23NO2 — CID 83932254

IUPAC2-amino-5-(4-ethoxyphenyl)hexan-3-ol
SMILESCCOc1ccc(C(C)CC(O)C(C)N)cc1
InChIInChI=1S/C14H23NO2/c1-4-17-13-7-5-12(6-8-13)10(2)9-14(16)11(3)15/h5-8,10-11,14,16H,4,9,15H2,1-3H3
InChIKeyRRUQEHZQHKTIQN-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.29
Rot. Bonds6

About 2-amino-5-(4-ethoxyphenyl)hexan-3-ol

2-amino-5-(4-ethoxyphenyl)hexan-3-ol (PubChem CID 83932254) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-amino-5-(4-ethoxyphenyl)hexan-3-ol.

Molecular Properties

Compound Name2-amino-5-(4-ethoxyphenyl)hexan-3-ol
PubChem CID83932254
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-amino-5-(4-ethoxyphenyl)hexan-3-ol
SMILESCCOc1ccc(C(C)CC(O)C(C)N)cc1
InChIInChI=1S/C14H23NO2/c1-4-17-13-7-5-12(6-8-13)10(2)9-14(16)11(3)15/h5-8,10-11,14,16H,4,9,15H2,1-3H3
InChIKeyRRUQEHZQHKTIQN-UHFFFAOYSA-N
XLogP2.29
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-(4-phenoxyphenyl)hexan-3-ol
CID 83939023
1-ethoxy-4-(4-methylpentan-2-yl)benzene
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2-amino-5-(4-ethoxy-2-methylphenyl)hexan-3-ol
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2-amino-5-(4-ethylphenyl)hexan-3-ol
CID 83922656
amino-(4-ethoxyphenyl)methanol
CID 116939610
5-amino-2-(4-propoxyphenyl)heptan-4-ol
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(1S,2R)-1-amino-1-(4-ethoxyphenyl)propan-2-ol;hydrochloride
CID 171266991
3-amino-3-(4-ethoxyphenyl)propan-1-ol
CID 3846701
1-(4-ethoxyphenyl)-2-methylbutan-1-amine
CID 12771706
2-(4-ethoxyphenyl)pentan-3-amine
CID 79308575
2-(4-ethoxyphenyl)-3-hydroxybutanamide
CID 152610342
4-[(4-aminophenyl)-(4-ethoxyphenyl)methyl]aniline
CID 59136500

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-ethoxyphenyl)hexan-3-ol?
The IUPAC name of 2-amino-5-(4-ethoxyphenyl)hexan-3-ol (CID 83932254) is 2-amino-5-(4-ethoxyphenyl)hexan-3-ol.
What is the SMILES notation for 2-amino-5-(4-ethoxyphenyl)hexan-3-ol?
The canonical SMILES for 2-amino-5-(4-ethoxyphenyl)hexan-3-ol is CCOc1ccc(C(C)CC(O)C(C)N)cc1.
What is the InChIKey of 2-amino-5-(4-ethoxyphenyl)hexan-3-ol?
The InChIKey is RRUQEHZQHKTIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-17-13-7-5-12(6-8-13)10(2)9-14(16)11(3)15/h5-8,10-11,14,16H,4,9,15H2,1-3H3.
What are the key properties of 2-amino-5-(4-ethoxyphenyl)hexan-3-ol?
2-amino-5-(4-ethoxyphenyl)hexan-3-ol has a molecular weight of 237.34 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-ethoxyphenyl)hexan-3-ol is sourced from PubChem (CID 83932254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).