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

C18H23NO2 — CID 83939023

IUPAC2-amino-5-(4-phenoxyphenyl)hexan-3-ol
SMILESCC(CC(O)C(C)N)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H23NO2/c1-13(12-18(20)14(2)19)15-8-10-17(11-9-15)21-16-6-4-3-5-7-16/h3-11,13-14,18,20H,12,19H2,1-2H3
InChIKeyRGJCDAHDVRUKOM-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.68
Rot. Bonds6

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

2-amino-5-(4-phenoxyphenyl)hexan-3-ol (PubChem CID 83939023) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-amino-5-(4-phenoxyphenyl)hexan-3-ol.

Molecular Properties

Compound Name2-amino-5-(4-phenoxyphenyl)hexan-3-ol
PubChem CID83939023
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-amino-5-(4-phenoxyphenyl)hexan-3-ol
SMILESCC(CC(O)C(C)N)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H23NO2/c1-13(12-18(20)14(2)19)15-8-10-17(11-9-15)21-16-6-4-3-5-7-16/h3-11,13-14,18,20H,12,19H2,1-2H3
InChIKeyRGJCDAHDVRUKOM-UHFFFAOYSA-N
XLogP3.68
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-(4-ethoxyphenyl)hexan-3-ol
CID 83932254
2-(4-phenoxyphenyl)propan-1-amine
CID 16736129
3-(4-phenoxyphenyl)butanethioamide
CID 83938971
3-[4-(4-phenoxyphenoxy)phenyl]butanoic acid
CID 70842776
(1R,2S)-1-amino-3-methyl-1-(4-phenoxyphenyl)butan-2-ol;hydrochloride
CID 171263705
1-(4-phenoxyphenyl)ethanol;hydrochloride
CID 67663526
(1R,2S)-1-amino-1-(4-phenoxyphenyl)-3-phenylpropan-2-ol
CID 171263718
(1S)-2-amino-1-(4-phenoxyphenyl)ethanol
CID 39247565
2-amino-5-[4-[2-(3-phenylpropoxy)phenoxy]phenyl]hexane-1,3-diol;hydrochloride
CID 22283563
(1R,2R)-1-fluoro-1-(4-phenoxyphenyl)propan-2-ol
CID 122372141
4-amino-1-(4-phenoxyphenyl)butane-1,2-diol
CID 171882229
methyl 3-hydroxy-2-methyl-5-phenylhexanoate
CID 62394189

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-phenoxyphenyl)hexan-3-ol?
The IUPAC name of 2-amino-5-(4-phenoxyphenyl)hexan-3-ol (CID 83939023) is 2-amino-5-(4-phenoxyphenyl)hexan-3-ol.
What is the SMILES notation for 2-amino-5-(4-phenoxyphenyl)hexan-3-ol?
The canonical SMILES for 2-amino-5-(4-phenoxyphenyl)hexan-3-ol is CC(CC(O)C(C)N)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-amino-5-(4-phenoxyphenyl)hexan-3-ol?
The InChIKey is RGJCDAHDVRUKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-13(12-18(20)14(2)19)15-8-10-17(11-9-15)21-16-6-4-3-5-7-16/h3-11,13-14,18,20H,12,19H2,1-2H3.
What are the key properties of 2-amino-5-(4-phenoxyphenyl)hexan-3-ol?
2-amino-5-(4-phenoxyphenyl)hexan-3-ol has a molecular weight of 285.39 g/mol, XLogP of 3.68, 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-phenoxyphenyl)hexan-3-ol is sourced from PubChem (CID 83939023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).