4-tert-butyl-N-(3-methylbutan-2-yl)aniline

C15H25N — CID 43111550

IUPAC4-tert-butyl-N-(3-methylbutan-2-yl)aniline
SMILESCC(C)C(C)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H25N/c1-11(2)12(3)16-14-9-7-13(8-10-14)15(4,5)6/h7-12,16H,1-6H3
InChIKeyRTYOBMHSZWJYSO-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.44
Rot. Bonds3

About 4-tert-butyl-N-(3-methylbutan-2-yl)aniline

4-tert-butyl-N-(3-methylbutan-2-yl)aniline (PubChem CID 43111550) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 4-tert-butyl-N-(3-methylbutan-2-yl)aniline.

Molecular Properties

Compound Name4-tert-butyl-N-(3-methylbutan-2-yl)aniline
PubChem CID43111550
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name4-tert-butyl-N-(3-methylbutan-2-yl)aniline
SMILESCC(C)C(C)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H25N/c1-11(2)12(3)16-14-9-7-13(8-10-14)15(4,5)6/h7-12,16H,1-6H3
InChIKeyRTYOBMHSZWJYSO-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N"-(4-tert-butylphenyl)methanetriamine
CID 166823886
2-(4-tert-butylanilino)-N-methylpropanamide
CID 43085951
1-(4-tert-butylanilino)propane-1-thiol
CID 166823904
4-(3-methylbutan-2-ylamino)benzenecarbothioamide
CID 43131463
N-(3-methylbutan-2-yl)-4-phenoxyaniline
CID 43111618
N-(3-methylbutan-2-yl)-4-(2,2,2-trifluoroethoxy)aniline
CID 43686735
2-[4-(1,1-difluoropropan-2-ylamino)phenyl]-2-methylpropanenitrile
CID 102868301
4-tert-butyl-N-octan-2-ylaniline
CID 43129735
N-[1-(4-tert-butylphenyl)ethyl]-4-methoxyaniline
CID 10379104
4-tert-butyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 42999390
2-[4-(3-methylbutan-2-ylamino)phenyl]acetonitrile
CID 43722269
(4-tert-butylphenyl)hydrazine
CID 2773676

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(3-methylbutan-2-yl)aniline?
The IUPAC name of 4-tert-butyl-N-(3-methylbutan-2-yl)aniline (CID 43111550) is 4-tert-butyl-N-(3-methylbutan-2-yl)aniline.
What is the SMILES notation for 4-tert-butyl-N-(3-methylbutan-2-yl)aniline?
The canonical SMILES for 4-tert-butyl-N-(3-methylbutan-2-yl)aniline is CC(C)C(C)Nc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-(3-methylbutan-2-yl)aniline?
The InChIKey is RTYOBMHSZWJYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-11(2)12(3)16-14-9-7-13(8-10-14)15(4,5)6/h7-12,16H,1-6H3.
What are the key properties of 4-tert-butyl-N-(3-methylbutan-2-yl)aniline?
4-tert-butyl-N-(3-methylbutan-2-yl)aniline has a molecular weight of 219.37 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(3-methylbutan-2-yl)aniline is sourced from PubChem (CID 43111550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).