1-[[3-(4-bromophenyl)cyclobutyl]amino]-2,4-dimethylpentan-2-ol

C17H26BrNO — CID 66179964

IUPAC1-[[3-(4-bromophenyl)cyclobutyl]amino]-2,4-dimethylpentan-2-ol
SMILESCC(C)CC(C)(O)CNC1CC(c2ccc(Br)cc2)C1
InChIInChI=1S/C17H26BrNO/c1-12(2)10-17(3,20)11-19-16-8-14(9-16)13-4-6-15(18)7-5-13/h4-7,12,14,16,19-20H,8-11H2,1-3H3
InChIKeyIHXWUCQJRAUVGN-UHFFFAOYSA-N
MW340.31 g/mol
LogP4.08
Rot. Bonds6

About 1-[[3-(4-bromophenyl)cyclobutyl]amino]-2,4-dimethylpentan-2-ol

1-[[3-(4-bromophenyl)cyclobutyl]amino]-2,4-dimethylpentan-2-ol (PubChem CID 66179964) has the molecular formula C17H26BrNO and a molecular weight of 340.31 g/mol. Its IUPAC name is 1-[[3-(4-bromophenyl)cyclobutyl]amino]-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[[3-(4-bromophenyl)cyclobutyl]amino]-2,4-dimethylpentan-2-ol
PubChem CID66179964
Molecular FormulaC17H26BrNO
Molecular Weight340.31 g/mol
Exact Mass339.12
IUPAC Name1-[[3-(4-bromophenyl)cyclobutyl]amino]-2,4-dimethylpentan-2-ol
SMILESCC(C)CC(C)(O)CNC1CC(c2ccc(Br)cc2)C1
InChIInChI=1S/C17H26BrNO/c1-12(2)10-17(3,20)11-19-16-8-14(9-16)13-4-6-15(18)7-5-13/h4-7,12,14,16,19-20H,8-11H2,1-3H3
InChIKeyIHXWUCQJRAUVGN-UHFFFAOYSA-N
XLogP4.08
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-bromophenyl)cyclobutyl]amino]-2,4-dimethylpentan-2-ol?
The IUPAC name of 1-[[3-(4-bromophenyl)cyclobutyl]amino]-2,4-dimethylpentan-2-ol (CID 66179964) is 1-[[3-(4-bromophenyl)cyclobutyl]amino]-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[[3-(4-bromophenyl)cyclobutyl]amino]-2,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[[3-(4-bromophenyl)cyclobutyl]amino]-2,4-dimethylpentan-2-ol is CC(C)CC(C)(O)CNC1CC(c2ccc(Br)cc2)C1.
What is the InChIKey of 1-[[3-(4-bromophenyl)cyclobutyl]amino]-2,4-dimethylpentan-2-ol?
The InChIKey is IHXWUCQJRAUVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-12(2)10-17(3,20)11-19-16-8-14(9-16)13-4-6-15(18)7-5-13/h4-7,12,14,16,19-20H,8-11H2,1-3H3.
What are the key properties of 1-[[3-(4-bromophenyl)cyclobutyl]amino]-2,4-dimethylpentan-2-ol?
1-[[3-(4-bromophenyl)cyclobutyl]amino]-2,4-dimethylpentan-2-ol has a molecular weight of 340.31 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-bromophenyl)cyclobutyl]amino]-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 66179964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).