2-[(4-tert-butyl-2,6-dimethylphenyl)methyl-propan-2-ylamino]ethanol

C18H31NO — CID 60693669

IUPAC2-[(4-tert-butyl-2,6-dimethylphenyl)methyl-propan-2-ylamino]ethanol
SMILESCc1cc(C(C)(C)C)cc(C)c1CN(CCO)C(C)C
InChIInChI=1S/C18H31NO/c1-13(2)19(8-9-20)12-17-14(3)10-16(11-15(17)4)18(5,6)7/h10-11,13,20H,8-9,12H2,1-7H3
InChIKeyFJJABLWCXVNRBH-UHFFFAOYSA-N
MW277.45 g/mol
LogP3.80
Rot. Bonds5

About 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl-propan-2-ylamino]ethanol

2-[(4-tert-butyl-2,6-dimethylphenyl)methyl-propan-2-ylamino]ethanol (PubChem CID 60693669) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[(4-tert-butyl-2,6-dimethylphenyl)methyl-propan-2-ylamino]ethanol
PubChem CID60693669
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name2-[(4-tert-butyl-2,6-dimethylphenyl)methyl-propan-2-ylamino]ethanol
SMILESCc1cc(C(C)(C)C)cc(C)c1CN(CCO)C(C)C
InChIInChI=1S/C18H31NO/c1-13(2)19(8-9-20)12-17-14(3)10-16(11-15(17)4)18(5,6)7/h10-11,13,20H,8-9,12H2,1-7H3
InChIKeyFJJABLWCXVNRBH-UHFFFAOYSA-N
XLogP3.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-tert-butyl-2,6-dimethylphenyl)methyl-(2-hydroxyethyl)amino]ethanol
CID 60686630
2-[(4-tert-butyl-2,6-dimethylphenyl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107484946
3-[(4-tert-butyl-2,6-dimethylphenyl)methyl-methylamino]propan-1-ol
CID 115216933
2-[(5-fluoro-2-methylphenyl)methyl-propan-2-ylamino]ethanol
CID 115970192
2-[(4,5-dimethoxy-2-methylphenyl)methyl-propan-2-ylamino]ethanol
CID 60696434
2-[[2-hydroxyethyl(propan-2-yl)amino]methyl]-6-methylphenol
CID 115903809
2-[(2-fluoro-5-methylphenyl)methyl-propan-2-ylamino]ethanol
CID 115880050
2-[(6-methyl-2-pyridinyl)methyl-propan-2-ylamino]ethanol
CID 79261151
2-[(2-bromo-4-methylphenyl)methyl-propan-2-ylamino]ethanol
CID 115880081
N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-2-chloro-N-methylethanamine
CID 115214949
2-[(2,5-difluorophenyl)methyl-propan-2-ylamino]ethanol
CID 62021731
2-[[5-(hydroxymethyl)furan-2-yl]methyl-propan-2-ylamino]ethanol
CID 115880076

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl-propan-2-ylamino]ethanol?
The IUPAC name of 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl-propan-2-ylamino]ethanol (CID 60693669) is 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl-propan-2-ylamino]ethanol is Cc1cc(C(C)(C)C)cc(C)c1CN(CCO)C(C)C.
What is the InChIKey of 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl-propan-2-ylamino]ethanol?
The InChIKey is FJJABLWCXVNRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-13(2)19(8-9-20)12-17-14(3)10-16(11-15(17)4)18(5,6)7/h10-11,13,20H,8-9,12H2,1-7H3.
What are the key properties of 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl-propan-2-ylamino]ethanol?
2-[(4-tert-butyl-2,6-dimethylphenyl)methyl-propan-2-ylamino]ethanol has a molecular weight of 277.45 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl-propan-2-ylamino]ethanol is sourced from PubChem (CID 60693669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).