1-(4-tert-butylphenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]ethanol

C19H33NO — CID 63471529

IUPAC1-(4-tert-butylphenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]ethanol
SMILESCC(N(C)CC(O)c1ccc(C(C)(C)C)cc1)C(C)(C)C
InChIInChI=1S/C19H33NO/c1-14(18(2,3)4)20(8)13-17(21)15-9-11-16(12-10-15)19(5,6)7/h9-12,14,17,21H,13H2,1-8H3
InChIKeyPGUZLESFYXVFOF-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.38
Rot. Bonds4

About 1-(4-tert-butylphenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]ethanol

1-(4-tert-butylphenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]ethanol (PubChem CID 63471529) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]ethanol.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]ethanol
PubChem CID63471529
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name1-(4-tert-butylphenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]ethanol
SMILESCC(N(C)CC(O)c1ccc(C(C)(C)C)cc1)C(C)(C)C
InChIInChI=1S/C19H33NO/c1-14(18(2,3)4)20(8)13-17(21)15-9-11-16(12-10-15)19(5,6)7/h9-12,14,17,21H,13H2,1-8H3
InChIKeyPGUZLESFYXVFOF-UHFFFAOYSA-N
XLogP4.38
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylphenyl)-N'-(3,3-dimethylbutan-2-yl)-N'-methylethane-1,2-diamine
CID 63467628
(1R,3R)-1,3-bis(4-tert-butylphenyl)propane-1,3-diol
CID 177450380
2-[[2-(4-tert-butylphenyl)-2-hydroxyethyl]-methylamino]acetic acid
CID 82216044
1-(4-tert-butylphenyl)propan-1-ol
CID 3279311
1-(4-tert-butylphenyl)-2-[methyl(pentyl)amino]ethanol
CID 63472288
(1S)-2-bromo-1-(4-tert-butylphenyl)ethanol
CID 83000693
2-bromo-1-(4-tert-butylphenyl)ethanol
CID 79021934
(1R)-1-(4-tert-butylphenyl)ethanol
CID 6990572
N'-(3,3-dimethylbutan-2-yl)-N'-methyl-1-(4-methylphenyl)ethane-1,2-diamine
CID 55011123
(4-tert-butylphenyl)-(dimethylamino)methanol
CID 116909511
1-(4-tert-butylphenyl)pentan-1-ol
CID 22486867
2-[methyl(3-methylbutan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 60969435

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]ethanol?
The IUPAC name of 1-(4-tert-butylphenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]ethanol (CID 63471529) is 1-(4-tert-butylphenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]ethanol.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]ethanol?
The canonical SMILES for 1-(4-tert-butylphenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]ethanol is CC(N(C)CC(O)c1ccc(C(C)(C)C)cc1)C(C)(C)C.
What is the InChIKey of 1-(4-tert-butylphenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]ethanol?
The InChIKey is PGUZLESFYXVFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-14(18(2,3)4)20(8)13-17(21)15-9-11-16(12-10-15)19(5,6)7/h9-12,14,17,21H,13H2,1-8H3.
What are the key properties of 1-(4-tert-butylphenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]ethanol?
1-(4-tert-butylphenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]ethanol has a molecular weight of 291.48 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]ethanol is sourced from PubChem (CID 63471529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).