2-amino-5-(4-butylphenoxy)-2-ethylpentan-1-ol

C17H29NO2 — CID 106810666

IUPAC2-amino-5-(4-butylphenoxy)-2-ethylpentan-1-ol
SMILESCCCCc1ccc(OCCCC(N)(CC)CO)cc1
InChIInChI=1S/C17H29NO2/c1-3-5-7-15-8-10-16(11-9-15)20-13-6-12-17(18,4-2)14-19/h8-11,19H,3-7,12-14,18H2,1-2H3
InChIKeyXDWMILUNTAZXBA-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.29
Rot. Bonds10

About 2-amino-5-(4-butylphenoxy)-2-ethylpentan-1-ol

2-amino-5-(4-butylphenoxy)-2-ethylpentan-1-ol (PubChem CID 106810666) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-amino-5-(4-butylphenoxy)-2-ethylpentan-1-ol.

Molecular Properties

Compound Name2-amino-5-(4-butylphenoxy)-2-ethylpentan-1-ol
PubChem CID106810666
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-amino-5-(4-butylphenoxy)-2-ethylpentan-1-ol
SMILESCCCCc1ccc(OCCCC(N)(CC)CO)cc1
InChIInChI=1S/C17H29NO2/c1-3-5-7-15-8-10-16(11-9-15)20-13-6-12-17(18,4-2)14-19/h8-11,19H,3-7,12-14,18H2,1-2H3
InChIKeyXDWMILUNTAZXBA-UHFFFAOYSA-N
XLogP3.29
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-5-(4-butylphenoxy)-2-ethylpentan-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-[2-(4-hexoxyphenyl)ethyl]propane-1,3-diol
CID 11483309
2-amino-2-[2-(4-tridecoxyphenyl)ethyl]propane-1,3-diol
CID 11223128
5-(4-butylphenoxy)-2-(ethylamino)-2-methylpentan-1-ol
CID 115493558
2-amino-3-(4-butylphenoxy)-2-methylpropan-1-ol
CID 113322785
(2S)-2-amino-2-methyl-4-(4-nonoxyphenyl)butan-1-ol
CID 132916636
5-(4-butylphenoxy)pentan-1-ol
CID 113322723
(2R)-2-amino-4-(4-heptoxyphenyl)-2-methylbutan-1-ol;hydrochloride
CID 45261292
2-amino-2-[3-(4-heptylphenyl)propyl]propane-1,3-diol;hydrochloride
CID 45264761
2-amino-6-(4-butylphenoxy)-2-methylhexanamide
CID 115493137
2-amino-2-[2-(6-pentoxynaphthalen-2-yl)ethyl]propane-1,3-diol
CID 58709703
(2S)-2-amino-2-[2-[4-(6-methylheptoxy)phenyl]ethyl]pentan-1-ol
CID 53234284
2-amino-2-[2-[4-(6-methylheptoxy)phenyl]ethyl]pentan-1-ol
CID 67606292

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-butylphenoxy)-2-ethylpentan-1-ol?
The IUPAC name of 2-amino-5-(4-butylphenoxy)-2-ethylpentan-1-ol (CID 106810666) is 2-amino-5-(4-butylphenoxy)-2-ethylpentan-1-ol.
What is the SMILES notation for 2-amino-5-(4-butylphenoxy)-2-ethylpentan-1-ol?
The canonical SMILES for 2-amino-5-(4-butylphenoxy)-2-ethylpentan-1-ol is CCCCc1ccc(OCCCC(N)(CC)CO)cc1.
What is the InChIKey of 2-amino-5-(4-butylphenoxy)-2-ethylpentan-1-ol?
The InChIKey is XDWMILUNTAZXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-3-5-7-15-8-10-16(11-9-15)20-13-6-12-17(18,4-2)14-19/h8-11,19H,3-7,12-14,18H2,1-2H3.
What are the key properties of 2-amino-5-(4-butylphenoxy)-2-ethylpentan-1-ol?
2-amino-5-(4-butylphenoxy)-2-ethylpentan-1-ol has a molecular weight of 279.42 g/mol, XLogP of 3.29, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-butylphenoxy)-2-ethylpentan-1-ol is sourced from PubChem (CID 106810666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).