3-(4-tert-butyl-N-methylanilino)-2,2-dimethylpropan-1-ol

C16H27NO — CID 115135181

IUPAC3-(4-tert-butyl-N-methylanilino)-2,2-dimethylpropan-1-ol
SMILESCN(CC(C)(C)CO)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H27NO/c1-15(2,3)13-7-9-14(10-8-13)17(6)11-16(4,5)12-18/h7-10,18H,11-12H2,1-6H3
InChIKeyQQRHGAKEPORJRZ-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.44
Rot. Bonds4

About 3-(4-tert-butyl-N-methylanilino)-2,2-dimethylpropan-1-ol

3-(4-tert-butyl-N-methylanilino)-2,2-dimethylpropan-1-ol (PubChem CID 115135181) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 3-(4-tert-butyl-N-methylanilino)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-(4-tert-butyl-N-methylanilino)-2,2-dimethylpropan-1-ol
PubChem CID115135181
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name3-(4-tert-butyl-N-methylanilino)-2,2-dimethylpropan-1-ol
SMILESCN(CC(C)(C)CO)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H27NO/c1-15(2,3)13-7-9-14(10-8-13)17(6)11-16(4,5)12-18/h7-10,18H,11-12H2,1-6H3
InChIKeyQQRHGAKEPORJRZ-UHFFFAOYSA-N
XLogP3.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-3-[methyl(naphthalen-2-yl)amino]propan-1-ol
CID 115135292
3-(4-tert-butyl-N-methylanilino)propan-1-ol
CID 94258791
2,2-dimethyl-3-[methyl-(6-methylnaphthalen-2-yl)amino]propan-1-ol
CID 115135288
3-(4-methoxy-N,3-dimethylanilino)-2,2-dimethylpropan-1-ol
CID 115135188
3-(3-chloro-4-methoxy-N-methylanilino)-2,2-dimethylpropan-1-ol
CID 115135194
2-(4-tert-butyl-N-methylanilino)acetaldehyde
CID 115222720
4-tert-butyl-N-(hydrazinylmethyl)-N-methylaniline
CID 115260561
6-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-3H-1,3-benzoxazol-2-one
CID 115135265
2-(4-tert-butyl-N-methylanilino)-N-methylacetamide
CID 60562398
2-amino-2-methyl-3-(N-methylanilino)propan-1-ol
CID 64798650
4-(4-bromo-N-methylanilino)-3,3-dimethylbutanoic acid
CID 115220259
N'-(4-ethylphenyl)-N',2,2-trimethylpropane-1,3-diamine
CID 62258743

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butyl-N-methylanilino)-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-(4-tert-butyl-N-methylanilino)-2,2-dimethylpropan-1-ol (CID 115135181) is 3-(4-tert-butyl-N-methylanilino)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-(4-tert-butyl-N-methylanilino)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-(4-tert-butyl-N-methylanilino)-2,2-dimethylpropan-1-ol is CN(CC(C)(C)CO)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 3-(4-tert-butyl-N-methylanilino)-2,2-dimethylpropan-1-ol?
The InChIKey is QQRHGAKEPORJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-15(2,3)13-7-9-14(10-8-13)17(6)11-16(4,5)12-18/h7-10,18H,11-12H2,1-6H3.
What are the key properties of 3-(4-tert-butyl-N-methylanilino)-2,2-dimethylpropan-1-ol?
3-(4-tert-butyl-N-methylanilino)-2,2-dimethylpropan-1-ol has a molecular weight of 249.40 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butyl-N-methylanilino)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 115135181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).