1-amino-4-(4-methylpentan-2-yloxy)-2-phenylbutan-2-ol

C16H27NO2 — CID 116696038

IUPAC1-amino-4-(4-methylpentan-2-yloxy)-2-phenylbutan-2-ol
SMILESCC(C)CC(C)OCCC(O)(CN)c1ccccc1
InChIInChI=1S/C16H27NO2/c1-13(2)11-14(3)19-10-9-16(18,12-17)15-7-5-4-6-8-15/h4-8,13-14,18H,9-12,17H2,1-3H3
InChIKeyRFZGFDWCPGXFGH-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.67
Rot. Bonds8

About 1-amino-4-(4-methylpentan-2-yloxy)-2-phenylbutan-2-ol

1-amino-4-(4-methylpentan-2-yloxy)-2-phenylbutan-2-ol (PubChem CID 116696038) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-amino-4-(4-methylpentan-2-yloxy)-2-phenylbutan-2-ol.

Molecular Properties

Compound Name1-amino-4-(4-methylpentan-2-yloxy)-2-phenylbutan-2-ol
PubChem CID116696038
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-amino-4-(4-methylpentan-2-yloxy)-2-phenylbutan-2-ol
SMILESCC(C)CC(C)OCCC(O)(CN)c1ccccc1
InChIInChI=1S/C16H27NO2/c1-13(2)11-14(3)19-10-9-16(18,12-17)15-7-5-4-6-8-15/h4-8,13-14,18H,9-12,17H2,1-3H3
InChIKeyRFZGFDWCPGXFGH-UHFFFAOYSA-N
XLogP2.67
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-4,6-dimethyl-2-phenylheptan-2-ol
CID 114200484
1-amino-4-(2-methoxyphenoxy)-2-phenylbutan-2-ol
CID 116696064
3-[(2R)-4-methylpentan-2-yl]oxy-N-(2-methyl-2-phenylpropyl)propanamide
CID 95975809
1-amino-2-phenyl-4-phenylsulfanylbutan-2-ol
CID 116696162
1-amino-4-(2-cyclobutylethoxy)-2-phenylbutan-2-ol
CID 106206889
1-amino-3-ethoxy-2-phenylpropan-2-ol
CID 64813783
2-amino-1,1-diphenylethanol;2-methylpropane
CID 143904354
1-amino-2-phenyl-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 64814427
(4-butan-2-yloxy-2-phenylbutan-2-yl) hydrogen carbonate
CID 90300409
1-amino-3-[cyclopropyl(2-methylpropyl)amino]-2-phenylpropan-2-ol
CID 64822024
[2-[2-(4-methylpentan-2-yloxy)ethoxy]phenyl]methanamine
CID 43254260
1-amino-4-(3,4-dimethoxypyrrolidin-1-yl)-2-phenylbutan-2-ol
CID 103540862

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(4-methylpentan-2-yloxy)-2-phenylbutan-2-ol?
The IUPAC name of 1-amino-4-(4-methylpentan-2-yloxy)-2-phenylbutan-2-ol (CID 116696038) is 1-amino-4-(4-methylpentan-2-yloxy)-2-phenylbutan-2-ol.
What is the SMILES notation for 1-amino-4-(4-methylpentan-2-yloxy)-2-phenylbutan-2-ol?
The canonical SMILES for 1-amino-4-(4-methylpentan-2-yloxy)-2-phenylbutan-2-ol is CC(C)CC(C)OCCC(O)(CN)c1ccccc1.
What is the InChIKey of 1-amino-4-(4-methylpentan-2-yloxy)-2-phenylbutan-2-ol?
The InChIKey is RFZGFDWCPGXFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-13(2)11-14(3)19-10-9-16(18,12-17)15-7-5-4-6-8-15/h4-8,13-14,18H,9-12,17H2,1-3H3.
What are the key properties of 1-amino-4-(4-methylpentan-2-yloxy)-2-phenylbutan-2-ol?
1-amino-4-(4-methylpentan-2-yloxy)-2-phenylbutan-2-ol has a molecular weight of 265.40 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(4-methylpentan-2-yloxy)-2-phenylbutan-2-ol is sourced from PubChem (CID 116696038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).