2-tert-butyl-N,N-dimethylaniline;ethane

C18H37N — CID 161110367

IUPAC2-tert-butyl-N,N-dimethylaniline;ethane
SMILESCC.CC.CC.CN(C)c1ccccc1C(C)(C)C
InChIInChI=1S/C12H19N.3C2H6/c1-12(2,3)10-8-6-7-9-11(10)13(4)5;3*1-2/h6-9H,1-5H3;3*1-2H3
InChIKeyUJPOEIMJNJSGNQ-UHFFFAOYSA-N
MW267.50 g/mol
LogP6.13
Rot. Bonds1

About 2-tert-butyl-N,N-dimethylaniline;ethane

2-tert-butyl-N,N-dimethylaniline;ethane (PubChem CID 161110367) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is 2-tert-butyl-N,N-dimethylaniline;ethane.

Molecular Properties

Compound Name2-tert-butyl-N,N-dimethylaniline;ethane
PubChem CID161110367
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC Name2-tert-butyl-N,N-dimethylaniline;ethane
SMILESCC.CC.CC.CN(C)c1ccccc1C(C)(C)C
InChIInChI=1S/C12H19N.3C2H6/c1-12(2,3)10-8-6-7-9-11(10)13(4)5;3*1-2/h6-9H,1-5H3;3*1-2H3
InChIKeyUJPOEIMJNJSGNQ-UHFFFAOYSA-N
XLogP6.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-tert-butyl-N,N-dimethylaniline;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-tert-butyl-2-methylbenzene;N,N-dimethylmethanamine;ethane
CID 157275483
(2-tert-butylphenyl)-methylcarbamic acid
CID 142882517
3-[2-(dimethylamino)phenyl]pentan-3-ol
CID 91656496
2-(2-isocyanatopropan-2-yl)-N,N-dimethylaniline
CID 83806205
CID 175472927
CID 175472927
bis[2-(dimethylamino)phenyl]-phenylmethanol
CID 18702748
1-(2-tert-butyl-N-methylanilino)propan-2-one
CID 117029491
N'-[2-[2-(dimethylamino)phenyl]propan-2-yl]-N-methylethane-1,2-diamine
CID 66916520
tris(1,2-ditert-butylbenzene);methanol
CID 175055057
2-tert-butyl-5-fluoro-N,N-dimethylaniline
CID 153310692
N-(2-tert-butylphenyl)-N-methyl-2-oxo-2-phenylacetamide
CID 139115648
4-N-(2-tert-butylphenyl)-4-N-methylcyclohexane-1,4-diamine
CID 117029186

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N,N-dimethylaniline;ethane?
The IUPAC name of 2-tert-butyl-N,N-dimethylaniline;ethane (CID 161110367) is 2-tert-butyl-N,N-dimethylaniline;ethane.
What is the SMILES notation for 2-tert-butyl-N,N-dimethylaniline;ethane?
The canonical SMILES for 2-tert-butyl-N,N-dimethylaniline;ethane is CC.CC.CC.CN(C)c1ccccc1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-N,N-dimethylaniline;ethane?
The InChIKey is UJPOEIMJNJSGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N.3C2H6/c1-12(2,3)10-8-6-7-9-11(10)13(4)5;3*1-2/h6-9H,1-5H3;3*1-2H3.
What are the key properties of 2-tert-butyl-N,N-dimethylaniline;ethane?
2-tert-butyl-N,N-dimethylaniline;ethane has a molecular weight of 267.50 g/mol, XLogP of 6.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N,N-dimethylaniline;ethane is sourced from PubChem (CID 161110367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).