1-(4-cyclobutylphenyl)-2-(dimethylamino)-2-methylbutan-1-ol

C17H27NO — CID 116505815

IUPAC1-(4-cyclobutylphenyl)-2-(dimethylamino)-2-methylbutan-1-ol
SMILESCCC(C)(C(O)c1ccc(C2CCC2)cc1)N(C)C
InChIInChI=1S/C17H27NO/c1-5-17(2,18(3)4)16(19)15-11-9-14(10-12-15)13-7-6-8-13/h9-13,16,19H,5-8H2,1-4H3
InChIKeyLAACCRQMNPMMQK-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.72
Rot. Bonds5

About 1-(4-cyclobutylphenyl)-2-(dimethylamino)-2-methylbutan-1-ol

1-(4-cyclobutylphenyl)-2-(dimethylamino)-2-methylbutan-1-ol (PubChem CID 116505815) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(4-cyclobutylphenyl)-2-(dimethylamino)-2-methylbutan-1-ol.

Molecular Properties

Compound Name1-(4-cyclobutylphenyl)-2-(dimethylamino)-2-methylbutan-1-ol
PubChem CID116505815
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(4-cyclobutylphenyl)-2-(dimethylamino)-2-methylbutan-1-ol
SMILESCCC(C)(C(O)c1ccc(C2CCC2)cc1)N(C)C
InChIInChI=1S/C17H27NO/c1-5-17(2,18(3)4)16(19)15-11-9-14(10-12-15)13-7-6-8-13/h9-13,16,19H,5-8H2,1-4H3
InChIKeyLAACCRQMNPMMQK-UHFFFAOYSA-N
XLogP3.72
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-cyclobutylphenyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine
CID 116506268
2-(4-cyclobutylphenyl)butan-2-ol
CID 116505233
3-(4-cyclobutylphenyl)-2-methylbutan-2-ol
CID 123497840
1-(4-cyclobutylphenyl)-2,2-diethoxyethanol
CID 116505826
1-(4-cyclobutylphenyl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 116757700
1-(4-cyclobutylphenyl)-2-methylhexan-1-ol
CID 114247193
1-(4-cyclopentylphenyl)hexan-1-ol
CID 91233072
1-(4-cyclobutylphenyl)-2-phenylethane-1,2-diol
CID 103459446
1-amino-1-(4-cyclohexylphenyl)-2-methylpropan-2-ol
CID 116942075
1-(4-cyclobutylphenyl)-2-propan-2-yloxyethanol
CID 105129139
1-(4-cyclobutylphenyl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine
CID 116506399
1-(4-cyclohexylphenyl)-2-[2-hydroxyethyl(methyl)amino]ethanol
CID 82217099

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylphenyl)-2-(dimethylamino)-2-methylbutan-1-ol?
The IUPAC name of 1-(4-cyclobutylphenyl)-2-(dimethylamino)-2-methylbutan-1-ol (CID 116505815) is 1-(4-cyclobutylphenyl)-2-(dimethylamino)-2-methylbutan-1-ol.
What is the SMILES notation for 1-(4-cyclobutylphenyl)-2-(dimethylamino)-2-methylbutan-1-ol?
The canonical SMILES for 1-(4-cyclobutylphenyl)-2-(dimethylamino)-2-methylbutan-1-ol is CCC(C)(C(O)c1ccc(C2CCC2)cc1)N(C)C.
What is the InChIKey of 1-(4-cyclobutylphenyl)-2-(dimethylamino)-2-methylbutan-1-ol?
The InChIKey is LAACCRQMNPMMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-17(2,18(3)4)16(19)15-11-9-14(10-12-15)13-7-6-8-13/h9-13,16,19H,5-8H2,1-4H3.
What are the key properties of 1-(4-cyclobutylphenyl)-2-(dimethylamino)-2-methylbutan-1-ol?
1-(4-cyclobutylphenyl)-2-(dimethylamino)-2-methylbutan-1-ol has a molecular weight of 261.41 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutylphenyl)-2-(dimethylamino)-2-methylbutan-1-ol is sourced from PubChem (CID 116505815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).