2-amino-2-methyl-5-(4-propoxyphenoxy)pentan-1-ol

C15H25NO3 — CID 64802925

IUPAC2-amino-2-methyl-5-(4-propoxyphenoxy)pentan-1-ol
SMILESCCCOc1ccc(OCCCC(C)(N)CO)cc1
InChIInChI=1S/C15H25NO3/c1-3-10-18-13-5-7-14(8-6-13)19-11-4-9-15(2,16)12-17/h5-8,17H,3-4,9-12,16H2,1-2H3
InChIKeyHKMAURBTCWXZEC-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.34
Rot. Bonds9

About 2-amino-2-methyl-5-(4-propoxyphenoxy)pentan-1-ol

2-amino-2-methyl-5-(4-propoxyphenoxy)pentan-1-ol (PubChem CID 64802925) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-amino-2-methyl-5-(4-propoxyphenoxy)pentan-1-ol.

Molecular Properties

Compound Name2-amino-2-methyl-5-(4-propoxyphenoxy)pentan-1-ol
PubChem CID64802925
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2-amino-2-methyl-5-(4-propoxyphenoxy)pentan-1-ol
SMILESCCCOc1ccc(OCCCC(C)(N)CO)cc1
InChIInChI=1S/C15H25NO3/c1-3-10-18-13-5-7-14(8-6-13)19-11-4-9-15(2,16)12-17/h5-8,17H,3-4,9-12,16H2,1-2H3
InChIKeyHKMAURBTCWXZEC-UHFFFAOYSA-N
XLogP2.34
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-2-methyl-5-(4-propoxyphenoxy)pentan-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-amino-2-methyl-5-(4-methylsulfonylphenoxy)pentan-1-ol
CID 64807315
2-amino-2-methyl-6-phenoxyhexan-1-ol
CID 64803768
2-amino-2-(4-propoxyphenyl)propan-1-ol
CID 61056640
(2S)-2-amino-2-methyl-4-(4-nonoxyphenyl)butan-1-ol
CID 132916636
2-amino-2-methyl-6-(4-propan-2-ylphenoxy)hexan-1-ol
CID 64804948
(2R)-2-amino-4-(4-heptoxyphenyl)-2-methylbutan-1-ol;hydrochloride
CID 45261292
2-amino-4-(4-tert-butylphenoxy)-2-methylbutan-1-ol
CID 64802066
2-amino-2-methyl-4-[5-[2-(4-propoxyphenyl)ethynyl]thiophen-2-yl]butan-1-ol
CID 22279917
2-methyl-2-(methylamino)-6-(4-propoxyphenoxy)hexan-1-ol
CID 64805410
(2R)-2-amino-2-methyl-4-[4-(4,4,5,5,5-pentafluoropentoxy)phenyl]butan-1-ol;hydrochloride
CID 86606737
2-amino-2-methyl-5-(3-propan-2-ylphenoxy)pentan-1-ol
CID 64802030
2-amino-6-(3-ethylphenoxy)-2-methylhexan-1-ol
CID 64802185

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-5-(4-propoxyphenoxy)pentan-1-ol?
The IUPAC name of 2-amino-2-methyl-5-(4-propoxyphenoxy)pentan-1-ol (CID 64802925) is 2-amino-2-methyl-5-(4-propoxyphenoxy)pentan-1-ol.
What is the SMILES notation for 2-amino-2-methyl-5-(4-propoxyphenoxy)pentan-1-ol?
The canonical SMILES for 2-amino-2-methyl-5-(4-propoxyphenoxy)pentan-1-ol is CCCOc1ccc(OCCCC(C)(N)CO)cc1.
What is the InChIKey of 2-amino-2-methyl-5-(4-propoxyphenoxy)pentan-1-ol?
The InChIKey is HKMAURBTCWXZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-3-10-18-13-5-7-14(8-6-13)19-11-4-9-15(2,16)12-17/h5-8,17H,3-4,9-12,16H2,1-2H3.
What are the key properties of 2-amino-2-methyl-5-(4-propoxyphenoxy)pentan-1-ol?
2-amino-2-methyl-5-(4-propoxyphenoxy)pentan-1-ol has a molecular weight of 267.37 g/mol, XLogP of 2.34, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-5-(4-propoxyphenoxy)pentan-1-ol is sourced from PubChem (CID 64802925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).