3,5-di(propan-2-yl)-N-(4-propan-2-ylphenyl)aniline

C21H29N — CID 177290097

IUPAC3,5-di(propan-2-yl)-N-(4-propan-2-ylphenyl)aniline
SMILESCC(C)c1ccc(Nc2cc(C(C)C)cc(C(C)C)c2)cc1
InChIInChI=1S/C21H29N/c1-14(2)17-7-9-20(10-8-17)22-21-12-18(15(3)4)11-19(13-21)16(5)6/h7-16,22H,1-6H3
InChIKeySFIVBMHVGUAKIP-UHFFFAOYSA-N
MW295.47 g/mol
LogP6.80
Rot. Bonds5

About 3,5-di(propan-2-yl)-N-(4-propan-2-ylphenyl)aniline

3,5-di(propan-2-yl)-N-(4-propan-2-ylphenyl)aniline (PubChem CID 177290097) has the molecular formula C21H29N and a molecular weight of 295.47 g/mol. Its IUPAC name is 3,5-di(propan-2-yl)-N-(4-propan-2-ylphenyl)aniline.

Molecular Properties

Compound Name3,5-di(propan-2-yl)-N-(4-propan-2-ylphenyl)aniline
PubChem CID177290097
Molecular FormulaC21H29N
Molecular Weight295.47 g/mol
Exact Mass295.23
IUPAC Name3,5-di(propan-2-yl)-N-(4-propan-2-ylphenyl)aniline
SMILESCC(C)c1ccc(Nc2cc(C(C)C)cc(C(C)C)c2)cc1
InChIInChI=1S/C21H29N/c1-14(2)17-7-9-20(10-8-17)22-21-12-18(15(3)4)11-19(13-21)16(5)6/h7-16,22H,1-6H3
InChIKeySFIVBMHVGUAKIP-UHFFFAOYSA-N
XLogP6.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.47
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-N,4-N-bis(4-propan-2-ylphenyl)benzene-1,4-diamine
CID 71359938
4-(4-propan-2-ylanilino)phenol
CID 21326552
2,6-dibromo-N-(4-propan-2-ylphenyl)aniline
CID 121004901
cumene;N-phenylaniline
CID 22645781
3-ethynyl-N-(4-propan-2-ylphenyl)aniline
CID 155290560
N-[4-(4-propan-2-ylanilino)phenyl]ethanesulfonamide
CID 112986651
1-[4-[4-(1-hydroxyethyl)anilino]phenyl]ethanol
CID 18521146
(4-propan-2-ylphenyl)hydrazine
CID 2733249
4-N-(4-propan-2-ylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 29066986
3-N-ethyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-diamine
CID 104532249
CID 175757661
CID 175757661
magnesium;1,3,5-tri(propan-2-yl)benzene;dibromide
CID 175275405

Frequently Asked Questions

What is the IUPAC name of 3,5-di(propan-2-yl)-N-(4-propan-2-ylphenyl)aniline?
The IUPAC name of 3,5-di(propan-2-yl)-N-(4-propan-2-ylphenyl)aniline (CID 177290097) is 3,5-di(propan-2-yl)-N-(4-propan-2-ylphenyl)aniline.
What is the SMILES notation for 3,5-di(propan-2-yl)-N-(4-propan-2-ylphenyl)aniline?
The canonical SMILES for 3,5-di(propan-2-yl)-N-(4-propan-2-ylphenyl)aniline is CC(C)c1ccc(Nc2cc(C(C)C)cc(C(C)C)c2)cc1.
What is the InChIKey of 3,5-di(propan-2-yl)-N-(4-propan-2-ylphenyl)aniline?
The InChIKey is SFIVBMHVGUAKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N/c1-14(2)17-7-9-20(10-8-17)22-21-12-18(15(3)4)11-19(13-21)16(5)6/h7-16,22H,1-6H3.
What are the key properties of 3,5-di(propan-2-yl)-N-(4-propan-2-ylphenyl)aniline?
3,5-di(propan-2-yl)-N-(4-propan-2-ylphenyl)aniline has a molecular weight of 295.47 g/mol, XLogP of 6.80, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-di(propan-2-yl)-N-(4-propan-2-ylphenyl)aniline is sourced from PubChem (CID 177290097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).