1-amino-4-(2-cyclobutylethoxy)-2-phenylbutan-2-ol

C16H25NO2 — CID 106206889

IUPAC1-amino-4-(2-cyclobutylethoxy)-2-phenylbutan-2-ol
SMILESNCC(O)(CCOCCC1CCC1)c1ccccc1
InChIInChI=1S/C16H25NO2/c17-13-16(18,15-7-2-1-3-8-15)10-12-19-11-9-14-5-4-6-14/h1-3,7-8,14,18H,4-6,9-13,17H2
InChIKeyINWFSZMXTGPSCN-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.43
Rot. Bonds8

About 1-amino-4-(2-cyclobutylethoxy)-2-phenylbutan-2-ol

1-amino-4-(2-cyclobutylethoxy)-2-phenylbutan-2-ol (PubChem CID 106206889) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-amino-4-(2-cyclobutylethoxy)-2-phenylbutan-2-ol.

Molecular Properties

Compound Name1-amino-4-(2-cyclobutylethoxy)-2-phenylbutan-2-ol
PubChem CID106206889
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-amino-4-(2-cyclobutylethoxy)-2-phenylbutan-2-ol
SMILESNCC(O)(CCOCCC1CCC1)c1ccccc1
InChIInChI=1S/C16H25NO2/c17-13-16(18,15-7-2-1-3-8-15)10-12-19-11-9-14-5-4-6-14/h1-3,7-8,14,18H,4-6,9-13,17H2
InChIKeyINWFSZMXTGPSCN-UHFFFAOYSA-N
XLogP2.43
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-(2-cyclopropylethoxy)-2-phenylbutanenitrile
CID 114157788
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-amino-2-phenylbutan-2-ol
CID 116695944
1-amino-2-phenyl-4-phenylsulfanylbutan-2-ol
CID 116696162
1-cyclopentyl-2-phenylpentan-2-ol
CID 65147061
1-amino-2-phenyl-3-(4-propylpiperidin-1-yl)propan-2-ol
CID 64820712
1-amino-4-(2-methoxyphenoxy)-2-phenylbutan-2-ol
CID 116696064
1-amino-4-(3-methylcyclohexyl)sulfanyl-2-phenylbutan-2-ol
CID 116696101
methyl 3-(2-cyclobutylethoxy)-2-(methylamino)-2-phenylpropanoate
CID 106204595
1-amino-3-(2-phenoxyethoxy)-2-phenylpropan-2-ol
CID 64812936
1-amino-4-(4-methylpentan-2-yloxy)-2-phenylbutan-2-ol
CID 116696038
[2-[2-(2-cyclobutylethoxy)ethoxy]phenyl]methanamine
CID 114157332
3-(2-cyclobutylethoxy)-2-phenyl-2-(propylamino)propan-1-ol
CID 106206861

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(2-cyclobutylethoxy)-2-phenylbutan-2-ol?
The IUPAC name of 1-amino-4-(2-cyclobutylethoxy)-2-phenylbutan-2-ol (CID 106206889) is 1-amino-4-(2-cyclobutylethoxy)-2-phenylbutan-2-ol.
What is the SMILES notation for 1-amino-4-(2-cyclobutylethoxy)-2-phenylbutan-2-ol?
The canonical SMILES for 1-amino-4-(2-cyclobutylethoxy)-2-phenylbutan-2-ol is NCC(O)(CCOCCC1CCC1)c1ccccc1.
What is the InChIKey of 1-amino-4-(2-cyclobutylethoxy)-2-phenylbutan-2-ol?
The InChIKey is INWFSZMXTGPSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c17-13-16(18,15-7-2-1-3-8-15)10-12-19-11-9-14-5-4-6-14/h1-3,7-8,14,18H,4-6,9-13,17H2.
What are the key properties of 1-amino-4-(2-cyclobutylethoxy)-2-phenylbutan-2-ol?
1-amino-4-(2-cyclobutylethoxy)-2-phenylbutan-2-ol has a molecular weight of 263.38 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(2-cyclobutylethoxy)-2-phenylbutan-2-ol is sourced from PubChem (CID 106206889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).