2-[1-(3-cyclopentylpropylamino)propyl]phenol

C17H27NO — CID 106008970

IUPAC2-[1-(3-cyclopentylpropylamino)propyl]phenol
SMILESCCC(NCCCC1CCCC1)c1ccccc1O
InChIInChI=1S/C17H27NO/c1-2-16(15-11-5-6-12-17(15)19)18-13-7-10-14-8-3-4-9-14/h5-6,11-12,14,16,18-19H,2-4,7-10,13H2,1H3
InChIKeyPZNBTUBAJLYKIM-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.40
Rot. Bonds7

About 2-[1-(3-cyclopentylpropylamino)propyl]phenol

2-[1-(3-cyclopentylpropylamino)propyl]phenol (PubChem CID 106008970) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-[1-(3-cyclopentylpropylamino)propyl]phenol.

Molecular Properties

Compound Name2-[1-(3-cyclopentylpropylamino)propyl]phenol
PubChem CID106008970
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-[1-(3-cyclopentylpropylamino)propyl]phenol
SMILESCCC(NCCCC1CCCC1)c1ccccc1O
InChIInChI=1S/C17H27NO/c1-2-16(15-11-5-6-12-17(15)19)18-13-7-10-14-8-3-4-9-14/h5-6,11-12,14,16,18-19H,2-4,7-10,13H2,1H3
InChIKeyPZNBTUBAJLYKIM-UHFFFAOYSA-N
XLogP4.40
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[1-(3-cyclopentylpropylamino)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

2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]propyl]phenol
CID 114448733
N-(2-cyclohexylethyl)-1-(2-fluorophenyl)propan-1-amine
CID 112676958
2-[1-[3-(4-methylpiperidin-1-yl)propylamino]propyl]phenol
CID 43205645
N-(3-cyclopentylpropyl)-1-phenylbutan-1-amine
CID 106008352
2-[1-(cyclopentyloxyamino)propyl]phenol
CID 83229678
2-[1-(2-cyclohexylethylamino)ethyl]phenol
CID 54931684
2-[1-[2-(4-methylpiperidin-1-yl)ethylamino]propyl]phenol
CID 61240084
2-[1-(cyclopropylamino)propyl]phenol
CID 16772826
2-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]propyl]phenol
CID 63294662
4-[1-(3-cyclopentylpropylamino)ethyl]benzene-1,3-diol
CID 106008680
2-[1-[(1-cyclopropylpyrrolidin-3-yl)methylamino]propyl]phenol
CID 60856155
2-[1-(2-methylsulfonylethylamino)propyl]phenol
CID 54931599

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-cyclopentylpropylamino)propyl]phenol?
The IUPAC name of 2-[1-(3-cyclopentylpropylamino)propyl]phenol (CID 106008970) is 2-[1-(3-cyclopentylpropylamino)propyl]phenol.
What is the SMILES notation for 2-[1-(3-cyclopentylpropylamino)propyl]phenol?
The canonical SMILES for 2-[1-(3-cyclopentylpropylamino)propyl]phenol is CCC(NCCCC1CCCC1)c1ccccc1O.
What is the InChIKey of 2-[1-(3-cyclopentylpropylamino)propyl]phenol?
The InChIKey is PZNBTUBAJLYKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-2-16(15-11-5-6-12-17(15)19)18-13-7-10-14-8-3-4-9-14/h5-6,11-12,14,16,18-19H,2-4,7-10,13H2,1H3.
What are the key properties of 2-[1-(3-cyclopentylpropylamino)propyl]phenol?
2-[1-(3-cyclopentylpropylamino)propyl]phenol has a molecular weight of 261.41 g/mol, XLogP of 4.40, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-cyclopentylpropylamino)propyl]phenol is sourced from PubChem (CID 106008970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).