2-tert-butyl-N-(1-phenylethyl)aniline

C18H23N — CID 43226869

IUPAC2-tert-butyl-N-(1-phenylethyl)aniline
SMILESCC(Nc1ccccc1C(C)(C)C)c1ccccc1
InChIInChI=1S/C18H23N/c1-14(15-10-6-5-7-11-15)19-17-13-9-8-12-16(17)18(2,3)4/h5-14,19H,1-4H3
InChIKeyXCEHFFCBLIAFEC-UHFFFAOYSA-N
MW253.39 g/mol
LogP5.16
Rot. Bonds3

About 2-tert-butyl-N-(1-phenylethyl)aniline

2-tert-butyl-N-(1-phenylethyl)aniline (PubChem CID 43226869) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-tert-butyl-N-(1-phenylethyl)aniline.

Molecular Properties

Compound Name2-tert-butyl-N-(1-phenylethyl)aniline
PubChem CID43226869
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name2-tert-butyl-N-(1-phenylethyl)aniline
SMILESCC(Nc1ccccc1C(C)(C)C)c1ccccc1
InChIInChI=1S/C18H23N/c1-14(15-10-6-5-7-11-15)19-17-13-9-8-12-16(17)18(2,3)4/h5-14,19H,1-4H3
InChIKeyXCEHFFCBLIAFEC-UHFFFAOYSA-N
XLogP5.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.39
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-tert-butyl-N-[1-(4-iodophenyl)ethyl]aniline
CID 43780792
2-tert-butyl-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43682980
2-tert-butyl-N-(3-methylbutan-2-yl)aniline
CID 43682932
2-tert-butyl-N-(1-thiophen-2-ylethyl)aniline
CID 43682936
2-(2-tert-butylanilino)-2-phenylacetic acid
CID 103254668
2-bromo-N-[(1S)-1-phenylethyl]aniline;hydrochloride
CID 172882995
2-phenyl-N-(1-phenylethyl)aniline
CID 43078706
2-[1-(2-tert-butylanilino)ethyl]benzene-1,4-diol
CID 43682928
N-[1-(4-bromothiophen-2-yl)ethyl]-2-tert-butylaniline
CID 107354017
2-tert-butyl-N-pentan-3-ylaniline
CID 43682945
N-[1-(4-iodophenyl)ethyl]-2-(trifluoromethyl)aniline
CID 43758444
2-tert-butyl-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline
CID 63751782

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(1-phenylethyl)aniline?
The IUPAC name of 2-tert-butyl-N-(1-phenylethyl)aniline (CID 43226869) is 2-tert-butyl-N-(1-phenylethyl)aniline.
What is the SMILES notation for 2-tert-butyl-N-(1-phenylethyl)aniline?
The canonical SMILES for 2-tert-butyl-N-(1-phenylethyl)aniline is CC(Nc1ccccc1C(C)(C)C)c1ccccc1.
What is the InChIKey of 2-tert-butyl-N-(1-phenylethyl)aniline?
The InChIKey is XCEHFFCBLIAFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-14(15-10-6-5-7-11-15)19-17-13-9-8-12-16(17)18(2,3)4/h5-14,19H,1-4H3.
What are the key properties of 2-tert-butyl-N-(1-phenylethyl)aniline?
2-tert-butyl-N-(1-phenylethyl)aniline has a molecular weight of 253.39 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(1-phenylethyl)aniline is sourced from PubChem (CID 43226869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).