2-butan-2-yl-N-(3,5-dimethylphenyl)-3-methylaniline

C19H25N — CID 145303163

IUPAC2-butan-2-yl-N-(3,5-dimethylphenyl)-3-methylaniline
SMILESCCC(C)c1c(C)cccc1Nc1cc(C)cc(C)c1
InChIInChI=1S/C19H25N/c1-6-15(4)19-16(5)8-7-9-18(19)20-17-11-13(2)10-14(3)12-17/h7-12,15,20H,6H2,1-5H3
InChIKeyVAEJEFCYAPNSII-UHFFFAOYSA-N
MW267.42 g/mol
LogP5.87
Rot. Bonds4

About 2-butan-2-yl-N-(3,5-dimethylphenyl)-3-methylaniline

2-butan-2-yl-N-(3,5-dimethylphenyl)-3-methylaniline (PubChem CID 145303163) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-butan-2-yl-N-(3,5-dimethylphenyl)-3-methylaniline.

Molecular Properties

Compound Name2-butan-2-yl-N-(3,5-dimethylphenyl)-3-methylaniline
PubChem CID145303163
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC Name2-butan-2-yl-N-(3,5-dimethylphenyl)-3-methylaniline
SMILESCCC(C)c1c(C)cccc1Nc1cc(C)cc(C)c1
InChIInChI=1S/C19H25N/c1-6-15(4)19-16(5)8-7-9-18(19)20-17-11-13(2)10-14(3)12-17/h7-12,15,20H,6H2,1-5H3
InChIKeyVAEJEFCYAPNSII-UHFFFAOYSA-N
XLogP5.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.42
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-N-(3,5-dimethylphenyl)-3-methylaniline?
The IUPAC name of 2-butan-2-yl-N-(3,5-dimethylphenyl)-3-methylaniline (CID 145303163) is 2-butan-2-yl-N-(3,5-dimethylphenyl)-3-methylaniline.
What is the SMILES notation for 2-butan-2-yl-N-(3,5-dimethylphenyl)-3-methylaniline?
The canonical SMILES for 2-butan-2-yl-N-(3,5-dimethylphenyl)-3-methylaniline is CCC(C)c1c(C)cccc1Nc1cc(C)cc(C)c1.
What is the InChIKey of 2-butan-2-yl-N-(3,5-dimethylphenyl)-3-methylaniline?
The InChIKey is VAEJEFCYAPNSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-6-15(4)19-16(5)8-7-9-18(19)20-17-11-13(2)10-14(3)12-17/h7-12,15,20H,6H2,1-5H3.
What are the key properties of 2-butan-2-yl-N-(3,5-dimethylphenyl)-3-methylaniline?
2-butan-2-yl-N-(3,5-dimethylphenyl)-3-methylaniline has a molecular weight of 267.42 g/mol, XLogP of 5.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-N-(3,5-dimethylphenyl)-3-methylaniline is sourced from PubChem (CID 145303163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).