4-tert-butyl-N-(1-phenylbutan-2-yl)aniline

C20H27N — CID 79008661

IUPAC4-tert-butyl-N-(1-phenylbutan-2-yl)aniline
SMILESCCC(Cc1ccccc1)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H27N/c1-5-18(15-16-9-7-6-8-10-16)21-19-13-11-17(12-14-19)20(2,3)4/h6-14,18,21H,5,15H2,1-4H3
InChIKeyXXRGUNNEXDCJNU-UHFFFAOYSA-N
MW281.44 g/mol
LogP5.42
Rot. Bonds5

About 4-tert-butyl-N-(1-phenylbutan-2-yl)aniline

4-tert-butyl-N-(1-phenylbutan-2-yl)aniline (PubChem CID 79008661) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 4-tert-butyl-N-(1-phenylbutan-2-yl)aniline.

Molecular Properties

Compound Name4-tert-butyl-N-(1-phenylbutan-2-yl)aniline
PubChem CID79008661
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name4-tert-butyl-N-(1-phenylbutan-2-yl)aniline
SMILESCCC(Cc1ccccc1)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H27N/c1-5-18(15-16-9-7-6-8-10-16)21-19-13-11-17(12-14-19)20(2,3)4/h6-14,18,21H,5,15H2,1-4H3
InChIKeyXXRGUNNEXDCJNU-UHFFFAOYSA-N
XLogP5.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methylsulfanyl-N-(1-phenylbutan-2-yl)aniline
CID 79007433
3,5-dichloro-N-(1-phenylbutan-2-yl)aniline
CID 79007274
4-methyl-N-[1-(4-methylphenyl)butan-2-yl]aniline
CID 164667835
3-fluoro-N-(1-phenylbutan-2-yl)aniline
CID 79007275
[3-(1-phenylbutan-2-ylamino)phenyl]methanol
CID 79007308
1-methyl-5-(1-phenylbutan-2-ylamino)pyridin-2-one
CID 79007599
1-(4-tert-butylanilino)propane-1-thiol
CID 166823904
4-chloro-N-(1,3-diphenylpropan-2-yl)aniline
CID 175391437
N-(1-phenylbutan-2-yl)-1H-indol-5-amine
CID 79007478
3-chloro-4-methoxy-N-(1-phenylbutan-2-yl)aniline
CID 79007273
N-(1-phenylbutan-2-yl)-1H-indazol-5-amine
CID 79007288
N-methoxy-1-phenylbutan-2-amine
CID 82707148

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(1-phenylbutan-2-yl)aniline?
The IUPAC name of 4-tert-butyl-N-(1-phenylbutan-2-yl)aniline (CID 79008661) is 4-tert-butyl-N-(1-phenylbutan-2-yl)aniline.
What is the SMILES notation for 4-tert-butyl-N-(1-phenylbutan-2-yl)aniline?
The canonical SMILES for 4-tert-butyl-N-(1-phenylbutan-2-yl)aniline is CCC(Cc1ccccc1)Nc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-(1-phenylbutan-2-yl)aniline?
The InChIKey is XXRGUNNEXDCJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-5-18(15-16-9-7-6-8-10-16)21-19-13-11-17(12-14-19)20(2,3)4/h6-14,18,21H,5,15H2,1-4H3.
What are the key properties of 4-tert-butyl-N-(1-phenylbutan-2-yl)aniline?
4-tert-butyl-N-(1-phenylbutan-2-yl)aniline has a molecular weight of 281.44 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(1-phenylbutan-2-yl)aniline is sourced from PubChem (CID 79008661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).