1-(4-tert-butyl-2-methylphenyl)-1-(methylamino)propan-2-ol

C15H25NO — CID 116859476

IUPAC1-(4-tert-butyl-2-methylphenyl)-1-(methylamino)propan-2-ol
SMILESCNC(c1ccc(C(C)(C)C)cc1C)C(C)O
InChIInChI=1S/C15H25NO/c1-10-9-12(15(3,4)5)7-8-13(10)14(16-6)11(2)17/h7-9,11,14,16-17H,1-6H3
InChIKeyBCDNXJCLPFURJD-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.93
Rot. Bonds3

About 1-(4-tert-butyl-2-methylphenyl)-1-(methylamino)propan-2-ol

1-(4-tert-butyl-2-methylphenyl)-1-(methylamino)propan-2-ol (PubChem CID 116859476) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(4-tert-butyl-2-methylphenyl)-1-(methylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-tert-butyl-2-methylphenyl)-1-(methylamino)propan-2-ol
PubChem CID116859476
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-(4-tert-butyl-2-methylphenyl)-1-(methylamino)propan-2-ol
SMILESCNC(c1ccc(C(C)(C)C)cc1C)C(C)O
InChIInChI=1S/C15H25NO/c1-10-9-12(15(3,4)5)7-8-13(10)14(16-6)11(2)17/h7-9,11,14,16-17H,1-6H3
InChIKeyBCDNXJCLPFURJD-UHFFFAOYSA-N
XLogP2.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butyl-2-methylphenyl)-1-N-methylpropane-1,2-diamine
CID 116948125
1-(4-tert-butyl-2-methylphenyl)-2-chloroethanol
CID 116863579
4-(4-tert-butyl-2-methylphenyl)-4-(methylamino)butan-2-one
CID 116956060
2-methoxy-N,3,3-trimethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]butan-1-amine
CID 102755235
3-(4-tert-butyl-2-methylphenyl)-3-(methylamino)propanenitrile
CID 116955178
1-(2,4-dimethoxyphenyl)-1-(methylamino)propan-2-ol
CID 116859416
1-(4-tert-butyl-2-methylphenyl)-N,N-dimethylethane-1,2-diamine
CID 82496475
2-amino-2-(4-tert-butyl-2-methylphenyl)acetamide
CID 116850789
2-[(2,4-dimethylphenyl)-(methylamino)methyl]-3-methylbutan-1-ol
CID 116960127
1-(4-methoxy-2-methylphenyl)-N,2-dimethylpropan-1-amine
CID 43482752
1-(5-tert-butyl-2-methylphenyl)-1-methoxy-N-methylmethanamine
CID 116961458
1-(methylamino)-1-(4-methylphenyl)propan-2-ol
CID 116859377

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-2-methylphenyl)-1-(methylamino)propan-2-ol?
The IUPAC name of 1-(4-tert-butyl-2-methylphenyl)-1-(methylamino)propan-2-ol (CID 116859476) is 1-(4-tert-butyl-2-methylphenyl)-1-(methylamino)propan-2-ol.
What is the SMILES notation for 1-(4-tert-butyl-2-methylphenyl)-1-(methylamino)propan-2-ol?
The canonical SMILES for 1-(4-tert-butyl-2-methylphenyl)-1-(methylamino)propan-2-ol is CNC(c1ccc(C(C)(C)C)cc1C)C(C)O.
What is the InChIKey of 1-(4-tert-butyl-2-methylphenyl)-1-(methylamino)propan-2-ol?
The InChIKey is BCDNXJCLPFURJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-10-9-12(15(3,4)5)7-8-13(10)14(16-6)11(2)17/h7-9,11,14,16-17H,1-6H3.
What are the key properties of 1-(4-tert-butyl-2-methylphenyl)-1-(methylamino)propan-2-ol?
1-(4-tert-butyl-2-methylphenyl)-1-(methylamino)propan-2-ol has a molecular weight of 235.37 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-2-methylphenyl)-1-(methylamino)propan-2-ol is sourced from PubChem (CID 116859476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).