1-cyclopentyloxy-3-[2-(2-methylphenyl)ethylamino]propan-2-ol

C17H27NO2 — CID 79748980

IUPAC1-cyclopentyloxy-3-[2-(2-methylphenyl)ethylamino]propan-2-ol
SMILESCc1ccccc1CCNCC(O)COC1CCCC1
InChIInChI=1S/C17H27NO2/c1-14-6-2-3-7-15(14)10-11-18-12-16(19)13-20-17-8-4-5-9-17/h2-3,6-7,16-19H,4-5,8-13H2,1H3
InChIKeyLKNXNUVFKGJHJX-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.45
Rot. Bonds8

About 1-cyclopentyloxy-3-[2-(2-methylphenyl)ethylamino]propan-2-ol

1-cyclopentyloxy-3-[2-(2-methylphenyl)ethylamino]propan-2-ol (PubChem CID 79748980) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-cyclopentyloxy-3-[2-(2-methylphenyl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyloxy-3-[2-(2-methylphenyl)ethylamino]propan-2-ol
PubChem CID79748980
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-cyclopentyloxy-3-[2-(2-methylphenyl)ethylamino]propan-2-ol
SMILESCc1ccccc1CCNCC(O)COC1CCCC1
InChIInChI=1S/C17H27NO2/c1-14-6-2-3-7-15(14)10-11-18-12-16(19)13-20-17-8-4-5-9-17/h2-3,6-7,16-19H,4-5,8-13H2,1H3
InChIKeyLKNXNUVFKGJHJX-UHFFFAOYSA-N
XLogP2.45
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-cyclopentyloxy-3-[2-(2-methylphenyl)ethylamino]propan-2-ol 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

1-cyclohexyloxy-3-[2-(3-methylphenyl)ethylamino]propan-2-ol
CID 62313548
2-[[(3-cyclohexyloxy-2-hydroxypropyl)amino]methyl]phenol
CID 114331934
1-[2-(2-methylphenyl)ethylamino]butan-2-ol
CID 79749191
1-(2-methoxyethoxy)-3-[2-(2-methylphenyl)ethylamino]propan-2-ol
CID 106990151
1-cyclopentyloxy-3-(2-phenylpropylamino)propan-2-ol
CID 104591392
1-cyclopentyloxy-3-(2-cyclopentyloxyethylamino)propan-2-ol
CID 63827682
3-hydroxy-4-[2-(2-methylphenyl)ethylamino]butanoic acid
CID 103256406
1-cyclopentyloxy-3-[(3-methylphenyl)methylamino]propan-2-ol
CID 60729329
1-(butylamino)-3-cycloheptyloxypropan-2-ol
CID 3055663
1-cyclopentyloxy-3-[2-[ethyl(methyl)amino]ethylamino]propan-2-ol
CID 62636791
1-(2-chloro-6-methylanilino)-3-cyclohexyloxypropan-2-ol
CID 66251349
1-cyclopentyloxy-3-[(3-ethyl-2-pyridinyl)methylamino]propan-2-ol
CID 82738008

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyloxy-3-[2-(2-methylphenyl)ethylamino]propan-2-ol?
The IUPAC name of 1-cyclopentyloxy-3-[2-(2-methylphenyl)ethylamino]propan-2-ol (CID 79748980) is 1-cyclopentyloxy-3-[2-(2-methylphenyl)ethylamino]propan-2-ol.
What is the SMILES notation for 1-cyclopentyloxy-3-[2-(2-methylphenyl)ethylamino]propan-2-ol?
The canonical SMILES for 1-cyclopentyloxy-3-[2-(2-methylphenyl)ethylamino]propan-2-ol is Cc1ccccc1CCNCC(O)COC1CCCC1.
What is the InChIKey of 1-cyclopentyloxy-3-[2-(2-methylphenyl)ethylamino]propan-2-ol?
The InChIKey is LKNXNUVFKGJHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-14-6-2-3-7-15(14)10-11-18-12-16(19)13-20-17-8-4-5-9-17/h2-3,6-7,16-19H,4-5,8-13H2,1H3.
What are the key properties of 1-cyclopentyloxy-3-[2-(2-methylphenyl)ethylamino]propan-2-ol?
1-cyclopentyloxy-3-[2-(2-methylphenyl)ethylamino]propan-2-ol has a molecular weight of 277.41 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyloxy-3-[2-(2-methylphenyl)ethylamino]propan-2-ol is sourced from PubChem (CID 79748980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).