N-butan-2-yl-2,4,6-trimethyl-N-(4-methylphenyl)aniline

C20H27N — CID 126691445

IUPACN-butan-2-yl-2,4,6-trimethyl-N-(4-methylphenyl)aniline
SMILESCCC(C)N(c1ccc(C)cc1)c1c(C)cc(C)cc1C
InChIInChI=1S/C20H27N/c1-7-18(6)21(19-10-8-14(2)9-11-19)20-16(4)12-15(3)13-17(20)5/h8-13,18H,7H2,1-6H3
InChIKeyIVSSZMGFNFXQLS-UHFFFAOYSA-N
MW281.44 g/mol
LogP5.86
Rot. Bonds4

About N-butan-2-yl-2,4,6-trimethyl-N-(4-methylphenyl)aniline

N-butan-2-yl-2,4,6-trimethyl-N-(4-methylphenyl)aniline (PubChem CID 126691445) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is N-butan-2-yl-2,4,6-trimethyl-N-(4-methylphenyl)aniline.

Molecular Properties

Compound NameN-butan-2-yl-2,4,6-trimethyl-N-(4-methylphenyl)aniline
PubChem CID126691445
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC NameN-butan-2-yl-2,4,6-trimethyl-N-(4-methylphenyl)aniline
SMILESCCC(C)N(c1ccc(C)cc1)c1c(C)cc(C)cc1C
InChIInChI=1S/C20H27N/c1-7-18(6)21(19-10-8-14(2)9-11-19)20-16(4)12-15(3)13-17(20)5/h8-13,18H,7H2,1-6H3
InChIKeyIVSSZMGFNFXQLS-UHFFFAOYSA-N
XLogP5.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2,4,6-trimethyl-N-(4-methylphenyl)aniline?
The IUPAC name of N-butan-2-yl-2,4,6-trimethyl-N-(4-methylphenyl)aniline (CID 126691445) is N-butan-2-yl-2,4,6-trimethyl-N-(4-methylphenyl)aniline.
What is the SMILES notation for N-butan-2-yl-2,4,6-trimethyl-N-(4-methylphenyl)aniline?
The canonical SMILES for N-butan-2-yl-2,4,6-trimethyl-N-(4-methylphenyl)aniline is CCC(C)N(c1ccc(C)cc1)c1c(C)cc(C)cc1C.
What is the InChIKey of N-butan-2-yl-2,4,6-trimethyl-N-(4-methylphenyl)aniline?
The InChIKey is IVSSZMGFNFXQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-7-18(6)21(19-10-8-14(2)9-11-19)20-16(4)12-15(3)13-17(20)5/h8-13,18H,7H2,1-6H3.
What are the key properties of N-butan-2-yl-2,4,6-trimethyl-N-(4-methylphenyl)aniline?
N-butan-2-yl-2,4,6-trimethyl-N-(4-methylphenyl)aniline has a molecular weight of 281.44 g/mol, XLogP of 5.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2,4,6-trimethyl-N-(4-methylphenyl)aniline is sourced from PubChem (CID 126691445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).