3-tert-butyl-N-phenylaniline

C16H19N — CID 19803090

IUPAC3-tert-butyl-N-phenylaniline
SMILESCC(C)(C)c1cccc(Nc2ccccc2)c1
InChIInChI=1S/C16H19N/c1-16(2,3)13-8-7-11-15(12-13)17-14-9-5-4-6-10-14/h4-12,17H,1-3H3
InChIKeyFOALAHOQRNZQLZ-UHFFFAOYSA-N
MW225.34 g/mol
LogP4.73
Rot. Bonds2

About 3-tert-butyl-N-phenylaniline

3-tert-butyl-N-phenylaniline (PubChem CID 19803090) has the molecular formula C16H19N and a molecular weight of 225.34 g/mol. Its IUPAC name is 3-tert-butyl-N-phenylaniline.

Molecular Properties

Compound Name3-tert-butyl-N-phenylaniline
PubChem CID19803090
Molecular FormulaC16H19N
Molecular Weight225.34 g/mol
Exact Mass225.15
IUPAC Name3-tert-butyl-N-phenylaniline
SMILESCC(C)(C)c1cccc(Nc2ccccc2)c1
InChIInChI=1S/C16H19N/c1-16(2,3)13-8-7-11-15(12-13)17-14-9-5-4-6-10-14/h4-12,17H,1-3H3
InChIKeyFOALAHOQRNZQLZ-UHFFFAOYSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-tert-butyl-N-(4-methylphenyl)aniline
CID 166638036
5-tert-butyl-N-(3-tert-butylphenyl)-2-deuterioaniline
CID 165344146
3,4-ditert-butyl-N-(3-tert-butylphenyl)aniline
CID 177290254
N-(4-phenylphenyl)-3-(2-phenylpropan-2-yl)aniline
CID 166562766
4-tert-butyl-2-(3-tert-butylanilino)benzoic acid
CID 139034527
3-methoxy-N-[4-(2-phenylpropan-2-yl)phenyl]aniline
CID 134358030
1-N-methyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-diamine
CID 117027255
N-(3-tert-butylphenyl)-1H-1,2,4-triazol-5-amine
CID 129131969
alumane;1,3-ditert-butylbenzene
CID 174392215
azane;N-phenylaniline
CID 67074378
N-phenyl-3-(4-phenylphenyl)aniline
CID 58389913
3-fluoro-N-phenylaniline
CID 2774466

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-phenylaniline?
The IUPAC name of 3-tert-butyl-N-phenylaniline (CID 19803090) is 3-tert-butyl-N-phenylaniline.
What is the SMILES notation for 3-tert-butyl-N-phenylaniline?
The canonical SMILES for 3-tert-butyl-N-phenylaniline is CC(C)(C)c1cccc(Nc2ccccc2)c1.
What is the InChIKey of 3-tert-butyl-N-phenylaniline?
The InChIKey is FOALAHOQRNZQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-16(2,3)13-8-7-11-15(12-13)17-14-9-5-4-6-10-14/h4-12,17H,1-3H3.
What are the key properties of 3-tert-butyl-N-phenylaniline?
3-tert-butyl-N-phenylaniline has a molecular weight of 225.34 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-phenylaniline is sourced from PubChem (CID 19803090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).