(1R)-1-[2-(2-ethylazepan-1-yl)phenyl]ethanol

C16H25NO — CID 104690574

IUPAC(1R)-1-[2-(2-ethylazepan-1-yl)phenyl]ethanol
SMILESCCC1CCCCCN1c1ccccc1[C@@H](C)O
InChIInChI=1S/C16H25NO/c1-3-14-9-5-4-8-12-17(14)16-11-7-6-10-15(16)13(2)18/h6-7,10-11,13-14,18H,3-5,8-9,12H2,1-2H3/t13-,14?/m1/s1
InChIKeyJMPZJOXYNMQMOX-KWCCSABGSA-N
MW247.38 g/mol
LogP3.90
Rot. Bonds3

About (1R)-1-[2-(2-ethylazepan-1-yl)phenyl]ethanol

(1R)-1-[2-(2-ethylazepan-1-yl)phenyl]ethanol (PubChem CID 104690574) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (1R)-1-[2-(2-ethylazepan-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-(2-ethylazepan-1-yl)phenyl]ethanol
PubChem CID104690574
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(1R)-1-[2-(2-ethylazepan-1-yl)phenyl]ethanol
SMILESCCC1CCCCCN1c1ccccc1[C@@H](C)O
InChIInChI=1S/C16H25NO/c1-3-14-9-5-4-8-12-17(14)16-11-7-6-10-15(16)13(2)18/h6-7,10-11,13-14,18H,3-5,8-9,12H2,1-2H3/t13-,14?/m1/s1
InChIKeyJMPZJOXYNMQMOX-KWCCSABGSA-N
XLogP3.90
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R)-1-[2-(2-ethylazepan-1-yl)phenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-[2-(2-ethylpyrrolidin-1-yl)phenyl]ethanol
CID 78939880
(1S)-1-[2-(2-ethylpyrrolidin-1-yl)phenyl]ethanol
CID 63370962
1-[2-(2-ethylpiperidin-1-yl)phenyl]-N-methylpropan-1-amine
CID 112677835
(1R)-1-[2-(2-ethylpyrrolidin-1-yl)phenyl]propan-1-amine
CID 103958582
N-[[2-(2-ethylazepan-1-yl)phenyl]methyl]propan-2-amine
CID 104690764
[2-(2-ethylazepan-1-yl)phenyl]methanamine
CID 104688934
5-(2-ethylpiperidin-1-yl)-2-(1-hydroxyethyl)phenol
CID 79603663
1-[3-chloro-4-(2-ethylazepan-1-yl)phenyl]ethanol
CID 104690625
(1S)-1-[2-(2-methylazepan-1-yl)phenyl]propan-1-ol
CID 103960186
(1R)-1-[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]ethanamine
CID 63368240
(1R)-1-[3-chloro-4-(2-ethylpiperidin-1-yl)phenyl]ethanol
CID 55184827
[2-(2-ethylpyrrolidin-1-yl)phenyl]methanol
CID 60973877

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(2-ethylazepan-1-yl)phenyl]ethanol?
The IUPAC name of (1R)-1-[2-(2-ethylazepan-1-yl)phenyl]ethanol (CID 104690574) is (1R)-1-[2-(2-ethylazepan-1-yl)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-(2-ethylazepan-1-yl)phenyl]ethanol?
The canonical SMILES for (1R)-1-[2-(2-ethylazepan-1-yl)phenyl]ethanol is CCC1CCCCCN1c1ccccc1[C@@H](C)O.
What is the InChIKey of (1R)-1-[2-(2-ethylazepan-1-yl)phenyl]ethanol?
The InChIKey is JMPZJOXYNMQMOX-KWCCSABGSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-14-9-5-4-8-12-17(14)16-11-7-6-10-15(16)13(2)18/h6-7,10-11,13-14,18H,3-5,8-9,12H2,1-2H3/t13-,14?/m1/s1.
What are the key properties of (1R)-1-[2-(2-ethylazepan-1-yl)phenyl]ethanol?
(1R)-1-[2-(2-ethylazepan-1-yl)phenyl]ethanol has a molecular weight of 247.38 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(2-ethylazepan-1-yl)phenyl]ethanol is sourced from PubChem (CID 104690574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).