2-(2-ethylazepan-1-yl)-1-(4-propylphenyl)ethanol

C19H31NO — CID 104691439

IUPAC2-(2-ethylazepan-1-yl)-1-(4-propylphenyl)ethanol
SMILESCCCc1ccc(C(O)CN2CCCCCC2CC)cc1
InChIInChI=1S/C19H31NO/c1-3-8-16-10-12-17(13-11-16)19(21)15-20-14-7-5-6-9-18(20)4-2/h10-13,18-19,21H,3-9,14-15H2,1-2H3
InChIKeyZAJASUUNXZAEPF-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.33
Rot. Bonds6

About 2-(2-ethylazepan-1-yl)-1-(4-propylphenyl)ethanol

2-(2-ethylazepan-1-yl)-1-(4-propylphenyl)ethanol (PubChem CID 104691439) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-(2-ethylazepan-1-yl)-1-(4-propylphenyl)ethanol.

Molecular Properties

Compound Name2-(2-ethylazepan-1-yl)-1-(4-propylphenyl)ethanol
PubChem CID104691439
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2-(2-ethylazepan-1-yl)-1-(4-propylphenyl)ethanol
SMILESCCCc1ccc(C(O)CN2CCCCCC2CC)cc1
InChIInChI=1S/C19H31NO/c1-3-8-16-10-12-17(13-11-16)19(21)15-20-14-7-5-6-9-18(20)4-2/h10-13,18-19,21H,3-9,14-15H2,1-2H3
InChIKeyZAJASUUNXZAEPF-UHFFFAOYSA-N
XLogP4.33
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-amino-4-methylphenyl)-2-(2-ethylpiperidin-1-yl)ethanol
CID 82071378
2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(4-propylphenyl)ethanol
CID 83221740
1-(4-propylphenyl)-2-(2-propylpiperidin-1-yl)ethanamine
CID 83052836
2-(2-ethylazepan-1-yl)-1-(4-propylphenyl)ethanone
CID 104690736
1-[1-(2-hydroxy-2-phenylethyl)azepan-2-yl]propan-2-ol
CID 114338936
2-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(4-propan-2-ylphenyl)ethanol
CID 82215800
3-(2-ethylazepan-1-yl)-1-phenylpropan-1-ol
CID 104692074
1-(4-aminophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]ethanol
CID 62265580
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(4-propylphenyl)ethanol
CID 115561354
2-(3-methoxypiperidin-1-yl)-1-(4-propylphenyl)ethanol
CID 102966119
4-[2-(2-ethylazepan-1-yl)ethyl]aniline
CID 104688951
3-[4-[(2-ethylpiperidin-1-yl)methyl]phenyl]propanoic acid
CID 84758629

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylazepan-1-yl)-1-(4-propylphenyl)ethanol?
The IUPAC name of 2-(2-ethylazepan-1-yl)-1-(4-propylphenyl)ethanol (CID 104691439) is 2-(2-ethylazepan-1-yl)-1-(4-propylphenyl)ethanol.
What is the SMILES notation for 2-(2-ethylazepan-1-yl)-1-(4-propylphenyl)ethanol?
The canonical SMILES for 2-(2-ethylazepan-1-yl)-1-(4-propylphenyl)ethanol is CCCc1ccc(C(O)CN2CCCCCC2CC)cc1.
What is the InChIKey of 2-(2-ethylazepan-1-yl)-1-(4-propylphenyl)ethanol?
The InChIKey is ZAJASUUNXZAEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-3-8-16-10-12-17(13-11-16)19(21)15-20-14-7-5-6-9-18(20)4-2/h10-13,18-19,21H,3-9,14-15H2,1-2H3.
What are the key properties of 2-(2-ethylazepan-1-yl)-1-(4-propylphenyl)ethanol?
2-(2-ethylazepan-1-yl)-1-(4-propylphenyl)ethanol has a molecular weight of 289.46 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylazepan-1-yl)-1-(4-propylphenyl)ethanol is sourced from PubChem (CID 104691439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).