4-[2-(2-ethylazepan-1-yl)propyl]phenol

C17H27NO — CID 104693189

IUPAC4-[2-(2-ethylazepan-1-yl)propyl]phenol
SMILESCCC1CCCCCN1C(C)Cc1ccc(O)cc1
InChIInChI=1S/C17H27NO/c1-3-16-7-5-4-6-12-18(16)14(2)13-15-8-10-17(19)11-9-15/h8-11,14,16,19H,3-7,12-13H2,1-2H3
InChIKeyZZELEZFOJVQWDM-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.98
Rot. Bonds4

About 4-[2-(2-ethylazepan-1-yl)propyl]phenol

4-[2-(2-ethylazepan-1-yl)propyl]phenol (PubChem CID 104693189) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-[2-(2-ethylazepan-1-yl)propyl]phenol.

Molecular Properties

Compound Name4-[2-(2-ethylazepan-1-yl)propyl]phenol
PubChem CID104693189
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name4-[2-(2-ethylazepan-1-yl)propyl]phenol
SMILESCCC1CCCCCN1C(C)Cc1ccc(O)cc1
InChIInChI=1S/C17H27NO/c1-3-16-7-5-4-6-12-18(16)14(2)13-15-8-10-17(19)11-9-15/h8-11,14,16,19H,3-7,12-13H2,1-2H3
InChIKeyZZELEZFOJVQWDM-UHFFFAOYSA-N
XLogP3.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[2-(2-ethylazepan-1-yl)propyl]phenol 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

4-[2-[2-(1-aminoethyl)piperidin-1-yl]propyl]phenol
CID 115496086
4-[3-[2-(methylaminomethyl)piperidin-1-yl]butyl]phenol
CID 63249276
[(2S)-1-[(2R)-1-(4-fluorophenyl)propan-2-yl]pyrrolidin-2-yl]methanamine
CID 100597047
3-(2-ethylazepan-1-yl)butanimidamide
CID 104690079
4-[2-[3-(dimethylamino)piperidin-1-yl]propyl]phenol
CID 82983896
2-(2-ethylazepan-1-yl)-1-(4-fluorophenyl)propan-1-one
CID 104690703
4-[3-(3-ethylmorpholin-4-yl)butyl]phenol
CID 82976699
4-[2-(3,4,5-trimethylpiperazin-1-yl)propyl]phenol
CID 114541108
N-[2-(2-ethylpiperidin-1-yl)propyl]-2-methylpropan-1-amine
CID 62417609
1-[1-[1-(4-fluorophenyl)propan-2-yl]piperidin-2-yl]ethanamine
CID 114832292
2-(2-ethylpiperidin-1-yl)propanoic acid
CID 20985444
5-[1-(2-ethylpyrrolidin-1-yl)ethyl]furan-2-carboxylic acid
CID 79083753

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-ethylazepan-1-yl)propyl]phenol?
The IUPAC name of 4-[2-(2-ethylazepan-1-yl)propyl]phenol (CID 104693189) is 4-[2-(2-ethylazepan-1-yl)propyl]phenol.
What is the SMILES notation for 4-[2-(2-ethylazepan-1-yl)propyl]phenol?
The canonical SMILES for 4-[2-(2-ethylazepan-1-yl)propyl]phenol is CCC1CCCCCN1C(C)Cc1ccc(O)cc1.
What is the InChIKey of 4-[2-(2-ethylazepan-1-yl)propyl]phenol?
The InChIKey is ZZELEZFOJVQWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-16-7-5-4-6-12-18(16)14(2)13-15-8-10-17(19)11-9-15/h8-11,14,16,19H,3-7,12-13H2,1-2H3.
What are the key properties of 4-[2-(2-ethylazepan-1-yl)propyl]phenol?
4-[2-(2-ethylazepan-1-yl)propyl]phenol has a molecular weight of 261.41 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-ethylazepan-1-yl)propyl]phenol is sourced from PubChem (CID 104693189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).