2-(cyclopropylamino)-4-(4-ethylphenoxy)-2-methylpentan-1-ol

C17H27NO2 — CID 64802459

IUPAC2-(cyclopropylamino)-4-(4-ethylphenoxy)-2-methylpentan-1-ol
SMILESCCc1ccc(OC(C)CC(C)(CO)NC2CC2)cc1
InChIInChI=1S/C17H27NO2/c1-4-14-5-9-16(10-6-14)20-13(2)11-17(3,12-19)18-15-7-8-15/h5-6,9-10,13,15,18-19H,4,7-8,11-12H2,1-3H3
InChIKeyRVLCFXZPTMTGAI-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.91
Rot. Bonds8

About 2-(cyclopropylamino)-4-(4-ethylphenoxy)-2-methylpentan-1-ol

2-(cyclopropylamino)-4-(4-ethylphenoxy)-2-methylpentan-1-ol (PubChem CID 64802459) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(4-ethylphenoxy)-2-methylpentan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(4-ethylphenoxy)-2-methylpentan-1-ol
PubChem CID64802459
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-(cyclopropylamino)-4-(4-ethylphenoxy)-2-methylpentan-1-ol
SMILESCCc1ccc(OC(C)CC(C)(CO)NC2CC2)cc1
InChIInChI=1S/C17H27NO2/c1-4-14-5-9-16(10-6-14)20-13(2)11-17(3,12-19)18-15-7-8-15/h5-6,9-10,13,15,18-19H,4,7-8,11-12H2,1-3H3
InChIKeyRVLCFXZPTMTGAI-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(cyclopropylamino)-4-(4-ethylphenoxy)-2-methylpentan-1-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

2-(cyclopropylamino)-2-methyl-4-(3-methylphenoxy)pentan-1-ol
CID 64802296
N-cyclopropyl-2-(4-ethylphenoxy)propanamide
CID 60625156
2-(ethylamino)-4-(4-fluorophenoxy)-2-methylpentan-1-ol
CID 64803932
4-(4-butan-2-ylphenoxy)-2-methyl-2-(methylamino)pentan-1-ol
CID 107669189
2-(cyclopropylamino)-4-(4-methoxyphenoxy)-2-methylpentanenitrile
CID 64727208
2-(4-ethylphenoxy)-N-methylpropan-1-amine
CID 54798642
N-[2-(4-ethylphenoxy)propyl]cyclohexanamine
CID 54797687
2-(ethylamino)-4-(4-ethyl-2-methoxyphenoxy)-2-methylpentan-1-ol
CID 107669196
2-(cyclopropylamino)-2-methyl-4-phenoxypentanamide
CID 64706033
2-(cyclopropylamino)-4-heptoxy-2-methylpentan-1-ol
CID 64802111
3-(4-tert-butylphenoxy)-2-(cyclopropylamino)-2-methylpropan-1-ol
CID 64802269
2-(cyclopropylamino)-4-(3,4-difluorophenoxy)-2-methylpentanoic acid
CID 64720679

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(4-ethylphenoxy)-2-methylpentan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-4-(4-ethylphenoxy)-2-methylpentan-1-ol (CID 64802459) is 2-(cyclopropylamino)-4-(4-ethylphenoxy)-2-methylpentan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-4-(4-ethylphenoxy)-2-methylpentan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-4-(4-ethylphenoxy)-2-methylpentan-1-ol is CCc1ccc(OC(C)CC(C)(CO)NC2CC2)cc1.
What is the InChIKey of 2-(cyclopropylamino)-4-(4-ethylphenoxy)-2-methylpentan-1-ol?
The InChIKey is RVLCFXZPTMTGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-14-5-9-16(10-6-14)20-13(2)11-17(3,12-19)18-15-7-8-15/h5-6,9-10,13,15,18-19H,4,7-8,11-12H2,1-3H3.
What are the key properties of 2-(cyclopropylamino)-4-(4-ethylphenoxy)-2-methylpentan-1-ol?
2-(cyclopropylamino)-4-(4-ethylphenoxy)-2-methylpentan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(4-ethylphenoxy)-2-methylpentan-1-ol is sourced from PubChem (CID 64802459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).