2-butyl-4,6-ditert-butylaniline

C18H31N — CID 167227063

IUPAC2-butyl-4,6-ditert-butylaniline
SMILESCCCCc1cc(C(C)(C)C)cc(C(C)(C)C)c1N
InChIInChI=1S/C18H31N/c1-8-9-10-13-11-14(17(2,3)4)12-15(16(13)19)18(5,6)7/h11-12H,8-10,19H2,1-7H3
InChIKeyHDCOGMVFBUIROG-UHFFFAOYSA-N
MW261.45 g/mol
LogP5.21
Rot. Bonds3

About 2-butyl-4,6-ditert-butylaniline

2-butyl-4,6-ditert-butylaniline (PubChem CID 167227063) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 2-butyl-4,6-ditert-butylaniline.

Molecular Properties

Compound Name2-butyl-4,6-ditert-butylaniline
PubChem CID167227063
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name2-butyl-4,6-ditert-butylaniline
SMILESCCCCc1cc(C(C)(C)C)cc(C(C)(C)C)c1N
InChIInChI=1S/C18H31N/c1-8-9-10-13-11-14(17(2,3)4)12-15(16(13)19)18(5,6)7/h11-12H,8-10,19H2,1-7H3
InChIKeyHDCOGMVFBUIROG-UHFFFAOYSA-N
XLogP5.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.45
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1,5-dibutyl-3-tert-butylbenzene
CID 140589363
4-[8-(4-amino-3-butyl-5-methoxyphenyl)-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctyl]-2-butyl-6-methoxyaniline
CID 172550465
3-(3,5-ditert-butyl-2-ethoxyphenyl)propan-1-ol
CID 21199253
3-butyl-5-tert-butyl-4-[(2-butyl-6-tert-butyl-4-hydroxyphenyl)methyl]phenol
CID 23324474
2,4,6-tritert-butylaniline;2,4,6-trimethylaniline
CID 67732973
4-N-(2-butyl-4-tert-butyl-6-methylphenyl)-1-N-(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine
CID 166998387
4-[6-(4-amino-3-butan-2-yl-5-butylphenyl)-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexyl]-2-butan-2-yl-6-butylaniline
CID 172550499
3-butyl-5-(trifluoromethyl)pyridin-2-amine
CID 150650764
1-tert-butyl-2-(2-tert-butyl-5-methyl-4-pentylphenyl)-4-methyl-5-pentylbenzene
CID 175044854
4-(4-amino-2,3,5-tributylphenoxy)-2,3,6-tributylaniline
CID 150650015
4-butyl-2,6-ditert-butylphenol
CID 158079570
2-(aminomethyl)-4,6-ditert-butylphenol
CID 12652148

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4,6-ditert-butylaniline?
The IUPAC name of 2-butyl-4,6-ditert-butylaniline (CID 167227063) is 2-butyl-4,6-ditert-butylaniline.
What is the SMILES notation for 2-butyl-4,6-ditert-butylaniline?
The canonical SMILES for 2-butyl-4,6-ditert-butylaniline is CCCCc1cc(C(C)(C)C)cc(C(C)(C)C)c1N.
What is the InChIKey of 2-butyl-4,6-ditert-butylaniline?
The InChIKey is HDCOGMVFBUIROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-8-9-10-13-11-14(17(2,3)4)12-15(16(13)19)18(5,6)7/h11-12H,8-10,19H2,1-7H3.
What are the key properties of 2-butyl-4,6-ditert-butylaniline?
2-butyl-4,6-ditert-butylaniline has a molecular weight of 261.45 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4,6-ditert-butylaniline is sourced from PubChem (CID 167227063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).