3-(3-pentyl-3-azabicyclo[3.1.0]hexan-1-yl)phenol

C16H23NO — CID 23332348

IUPAC3-(3-pentyl-3-azabicyclo[3.1.0]hexan-1-yl)phenol
SMILESCCCCCN1CC2CC2(c2cccc(O)c2)C1
InChIInChI=1S/C16H23NO/c1-2-3-4-8-17-11-14-10-16(14,12-17)13-6-5-7-15(18)9-13/h5-7,9,14,18H,2-4,8,10-12H2,1H3
InChIKeyFTZNXSJIVRHTML-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.16
Rot. Bonds5

About 3-(3-pentyl-3-azabicyclo[3.1.0]hexan-1-yl)phenol

3-(3-pentyl-3-azabicyclo[3.1.0]hexan-1-yl)phenol (PubChem CID 23332348) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-(3-pentyl-3-azabicyclo[3.1.0]hexan-1-yl)phenol.

Molecular Properties

Compound Name3-(3-pentyl-3-azabicyclo[3.1.0]hexan-1-yl)phenol
PubChem CID23332348
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name3-(3-pentyl-3-azabicyclo[3.1.0]hexan-1-yl)phenol
SMILESCCCCCN1CC2CC2(c2cccc(O)c2)C1
InChIInChI=1S/C16H23NO/c1-2-3-4-8-17-11-14-10-16(14,12-17)13-6-5-7-15(18)9-13/h5-7,9,14,18H,2-4,8,10-12H2,1H3
InChIKeyFTZNXSJIVRHTML-UHFFFAOYSA-N
XLogP3.16
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(3-pentyl-3-azabicyclo[3.1.0]hexan-1-yl)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

3-[(3R,4R)-3,4-dimethyl-1-pentylpiperidin-4-yl]phenol
CID 10423544
1-naphthalen-2-yl-3-propyl-3-azabicyclo[3.1.0]hexane
CID 68943861
3-[(3R,4S)-1-heptyl-3,4-dimethylpiperidin-4-yl]phenol;hydrochloride
CID 18637251
3-[(2R,4R,5R)-1-heptyl-4,5-dimethyl-2-propylpiperidin-4-yl]phenol
CID 11559278
3-[(4aS,8aS)-2-propyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-yl]phenol
CID 14020593
3-(3,4-dimethyl-3-azabicyclo[3.1.0]hexan-1-yl)phenol
CID 23332344
3-[3-ethyl-1-[8-[3-ethyl-3-(3-hydroxyphenyl)azepan-1-yl]octyl]azepan-3-yl]phenol
CID 74326941
3-[(3S)-3-ethyl-1-[10-[(3S)-3-ethyl-3-(3-hydroxyphenyl)azepan-1-yl]decyl]azepan-3-yl]phenol
CID 24827759
3-[(3S)-1-butylpiperidin-3-yl]phenol
CID 12937975
(4aS,8aS)-4a-(3-methoxyphenyl)-2-pentyl-1,3,4,5,6,7,8,8a-octahydroisoquinoline
CID 22824824
9-(3-hydroxyphenyl)-3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol
CID 86260595
(5R)-3-ethyl-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane
CID 90777367

Frequently Asked Questions

What is the IUPAC name of 3-(3-pentyl-3-azabicyclo[3.1.0]hexan-1-yl)phenol?
The IUPAC name of 3-(3-pentyl-3-azabicyclo[3.1.0]hexan-1-yl)phenol (CID 23332348) is 3-(3-pentyl-3-azabicyclo[3.1.0]hexan-1-yl)phenol.
What is the SMILES notation for 3-(3-pentyl-3-azabicyclo[3.1.0]hexan-1-yl)phenol?
The canonical SMILES for 3-(3-pentyl-3-azabicyclo[3.1.0]hexan-1-yl)phenol is CCCCCN1CC2CC2(c2cccc(O)c2)C1.
What is the InChIKey of 3-(3-pentyl-3-azabicyclo[3.1.0]hexan-1-yl)phenol?
The InChIKey is FTZNXSJIVRHTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-2-3-4-8-17-11-14-10-16(14,12-17)13-6-5-7-15(18)9-13/h5-7,9,14,18H,2-4,8,10-12H2,1H3.
What are the key properties of 3-(3-pentyl-3-azabicyclo[3.1.0]hexan-1-yl)phenol?
3-(3-pentyl-3-azabicyclo[3.1.0]hexan-1-yl)phenol has a molecular weight of 245.37 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-pentyl-3-azabicyclo[3.1.0]hexan-1-yl)phenol is sourced from PubChem (CID 23332348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).