2-butan-2-yl-6-methyl-N,N-diphenylaniline

C23H25N — CID 139836206

IUPAC2-butan-2-yl-6-methyl-N,N-diphenylaniline
SMILESCCC(C)c1cccc(C)c1N(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H25N/c1-4-18(2)22-17-11-12-19(3)23(22)24(20-13-7-5-8-14-20)21-15-9-6-10-16-21/h5-18H,4H2,1-3H3
InChIKeyNSUANCWJAQRTPI-UHFFFAOYSA-N
MW315.46 g/mol
LogP6.98
Rot. Bonds5

About 2-butan-2-yl-6-methyl-N,N-diphenylaniline

2-butan-2-yl-6-methyl-N,N-diphenylaniline (PubChem CID 139836206) has the molecular formula C23H25N and a molecular weight of 315.46 g/mol. Its IUPAC name is 2-butan-2-yl-6-methyl-N,N-diphenylaniline.

Molecular Properties

Compound Name2-butan-2-yl-6-methyl-N,N-diphenylaniline
PubChem CID139836206
Molecular FormulaC23H25N
Molecular Weight315.46 g/mol
Exact Mass315.20
IUPAC Name2-butan-2-yl-6-methyl-N,N-diphenylaniline
SMILESCCC(C)c1cccc(C)c1N(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H25N/c1-4-18(2)22-17-11-12-19(3)23(22)24(20-13-7-5-8-14-20)21-15-9-6-10-16-21/h5-18H,4H2,1-3H3
InChIKeyNSUANCWJAQRTPI-UHFFFAOYSA-N
XLogP6.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.46
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-[4-(2-butan-2-yl-6-methyl-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(2-butan-2-yl-6-methylphenyl)naphthalen-1-amine
CID 118927464
2-butan-2-yl-N-[4-[4-(N-(2-butan-2-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 18977846
(2-butan-2-yl-6-methylphenyl)methanamine;ethane
CID 143860612
N-(2,6-dimethylphenyl)-2,3,4,5,6-pentamethyl-N-phenylaniline
CID 88869874
benzene;2,3-di(butan-2-yl)phenol
CID 67178643
N-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-(N-(2,6-dimethylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]-2,6-dimethyl-N-phenylaniline
CID 11354736
2-ethyl-N-[4-[4-(N-(2-ethyl-6-methylphenyl)anilino)phenyl]phenyl]-6-methyl-N-phenylaniline
CID 22900130
N-(4-bromophenyl)-2-ethyl-6-methyl-N-phenylaniline
CID 118968850
N-(2-butan-2-ylphenyl)-N'-(2,3-dimethylphenyl)oxamide
CID 108515395
1-butan-2-yl-2-propan-2-ylbenzene;ethane
CID 143715642
N-(4-butan-2-ylphenyl)-3-methyl-N-phenylaniline;methane
CID 159095466
1-methyl-10-pentan-2-ylcyclodeca-1,3,5,7,9-pentaene
CID 123216377

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-6-methyl-N,N-diphenylaniline?
The IUPAC name of 2-butan-2-yl-6-methyl-N,N-diphenylaniline (CID 139836206) is 2-butan-2-yl-6-methyl-N,N-diphenylaniline.
What is the SMILES notation for 2-butan-2-yl-6-methyl-N,N-diphenylaniline?
The canonical SMILES for 2-butan-2-yl-6-methyl-N,N-diphenylaniline is CCC(C)c1cccc(C)c1N(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-butan-2-yl-6-methyl-N,N-diphenylaniline?
The InChIKey is NSUANCWJAQRTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N/c1-4-18(2)22-17-11-12-19(3)23(22)24(20-13-7-5-8-14-20)21-15-9-6-10-16-21/h5-18H,4H2,1-3H3.
What are the key properties of 2-butan-2-yl-6-methyl-N,N-diphenylaniline?
2-butan-2-yl-6-methyl-N,N-diphenylaniline has a molecular weight of 315.46 g/mol, XLogP of 6.98, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-6-methyl-N,N-diphenylaniline is sourced from PubChem (CID 139836206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).