3-[2-(4-tert-butylphenyl)ethylamino]-3-methylbutan-1-ol

C17H29NO — CID 115134207

IUPAC3-[2-(4-tert-butylphenyl)ethylamino]-3-methylbutan-1-ol
SMILESCC(C)(CCO)NCCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H29NO/c1-16(2,3)15-8-6-14(7-9-15)10-12-18-17(4,5)11-13-19/h6-9,18-19H,10-13H2,1-5H3
InChIKeyYDBDSIVMKLTOCV-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.28
Rot. Bonds6

About 3-[2-(4-tert-butylphenyl)ethylamino]-3-methylbutan-1-ol

3-[2-(4-tert-butylphenyl)ethylamino]-3-methylbutan-1-ol (PubChem CID 115134207) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 3-[2-(4-tert-butylphenyl)ethylamino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name3-[2-(4-tert-butylphenyl)ethylamino]-3-methylbutan-1-ol
PubChem CID115134207
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name3-[2-(4-tert-butylphenyl)ethylamino]-3-methylbutan-1-ol
SMILESCC(C)(CCO)NCCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H29NO/c1-16(2,3)15-8-6-14(7-9-15)10-12-18-17(4,5)11-13-19/h6-9,18-19H,10-13H2,1-5H3
InChIKeyYDBDSIVMKLTOCV-UHFFFAOYSA-N
XLogP3.28
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-tert-butylphenyl)ethyl]hydroxylamine
CID 142885264
3-methyl-3-[(4-propylphenyl)methylamino]butan-1-ol
CID 115134045
3-methyl-3-N-[2-(4-methylphenyl)ethyl]butane-1,3-diamine
CID 115134895
N'-[2-(4-tert-butylphenyl)ethyl]-N-methylmethanediamine
CID 115227117
N'-[2-(4-tert-butylphenyl)ethyl]methanediamine
CID 115225996
4-tert-butyl-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 115870121
methyl 4-[3-(2-hydroxyethylamino)-3-methylbutyl]benzoate
CID 70592976
4-[2-(4-tert-butylphenyl)ethylamino]-2,2-dimethylbutanoic acid
CID 122127415
N'-[2-(4-tert-butylphenyl)ethyl]ethane-1,2-diamine
CID 115195374
4-[2-[(4-tert-butylphenyl)methylamino]ethyl]phenol
CID 61239050
3-methyl-3-N-(2-pyridin-4-ylethyl)butane-1,3-diamine
CID 115134973
3-methyl-3-(4-propylanilino)butan-1-ol
CID 115133797

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-tert-butylphenyl)ethylamino]-3-methylbutan-1-ol?
The IUPAC name of 3-[2-(4-tert-butylphenyl)ethylamino]-3-methylbutan-1-ol (CID 115134207) is 3-[2-(4-tert-butylphenyl)ethylamino]-3-methylbutan-1-ol.
What is the SMILES notation for 3-[2-(4-tert-butylphenyl)ethylamino]-3-methylbutan-1-ol?
The canonical SMILES for 3-[2-(4-tert-butylphenyl)ethylamino]-3-methylbutan-1-ol is CC(C)(CCO)NCCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 3-[2-(4-tert-butylphenyl)ethylamino]-3-methylbutan-1-ol?
The InChIKey is YDBDSIVMKLTOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-16(2,3)15-8-6-14(7-9-15)10-12-18-17(4,5)11-13-19/h6-9,18-19H,10-13H2,1-5H3.
What are the key properties of 3-[2-(4-tert-butylphenyl)ethylamino]-3-methylbutan-1-ol?
3-[2-(4-tert-butylphenyl)ethylamino]-3-methylbutan-1-ol has a molecular weight of 263.42 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-tert-butylphenyl)ethylamino]-3-methylbutan-1-ol is sourced from PubChem (CID 115134207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).