4-[2-[3-[2-(4-aminophenyl)propan-2-yl]phenyl]propan-2-yl]aniline

C24H28N2 — CID 3292101

IUPAC4-[2-[3-[2-(4-aminophenyl)propan-2-yl]phenyl]propan-2-yl]aniline
SMILESCC(C)(c1ccc(N)cc1)c1cccc(C(C)(C)c2ccc(N)cc2)c1
InChIInChI=1S/C24H28N2/c1-23(2,17-8-12-21(25)13-9-17)19-6-5-7-20(16-19)24(3,4)18-10-14-22(26)15-11-18/h5-16H,25-26H2,1-4H3
InChIKeyKWOIWTRRPFHBSI-UHFFFAOYSA-N
MW344.50 g/mol
LogP5.50
Rot. Bonds4

About 4-[2-[3-[2-(4-aminophenyl)propan-2-yl]phenyl]propan-2-yl]aniline

4-[2-[3-[2-(4-aminophenyl)propan-2-yl]phenyl]propan-2-yl]aniline (PubChem CID 3292101) has the molecular formula C24H28N2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 4-[2-[3-[2-(4-aminophenyl)propan-2-yl]phenyl]propan-2-yl]aniline.

Molecular Properties

Compound Name4-[2-[3-[2-(4-aminophenyl)propan-2-yl]phenyl]propan-2-yl]aniline
PubChem CID3292101
Molecular FormulaC24H28N2
Molecular Weight344.50 g/mol
Exact Mass344.23
IUPAC Name4-[2-[3-[2-(4-aminophenyl)propan-2-yl]phenyl]propan-2-yl]aniline
SMILESCC(C)(c1ccc(N)cc1)c1cccc(C(C)(C)c2ccc(N)cc2)c1
InChIInChI=1S/C24H28N2/c1-23(2,17-8-12-21(25)13-9-17)19-6-5-7-20(16-19)24(3,4)18-10-14-22(26)15-11-18/h5-16H,25-26H2,1-4H3
InChIKeyKWOIWTRRPFHBSI-UHFFFAOYSA-N
XLogP5.50
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4,4-Diaminodiphenylmethane
CID 7577
o-Tolidine
CID 8413
Benzidine
CID 7111
4-Aminobiphenyl
CID 7102
Magenta Base
CID 12448
4-Isopropylaniline
CID 7464
Pararosaniline Hydrochloride
CID 11292
4,4'-Diamino-3,3'-dimethyldiphenylmethane
CID 13283
3,3',5,5'-Tetramethylbenzidine
CID 41206
4,4'-Methylenedianiline dihydrochloride
CID 26108
Basic violet 14
CID 12447
Benzidine dihydrochloride
CID 10754

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[2-(4-aminophenyl)propan-2-yl]phenyl]propan-2-yl]aniline?
The IUPAC name of 4-[2-[3-[2-(4-aminophenyl)propan-2-yl]phenyl]propan-2-yl]aniline (CID 3292101) is 4-[2-[3-[2-(4-aminophenyl)propan-2-yl]phenyl]propan-2-yl]aniline.
What is the SMILES notation for 4-[2-[3-[2-(4-aminophenyl)propan-2-yl]phenyl]propan-2-yl]aniline?
The canonical SMILES for 4-[2-[3-[2-(4-aminophenyl)propan-2-yl]phenyl]propan-2-yl]aniline is CC(C)(c1ccc(N)cc1)c1cccc(C(C)(C)c2ccc(N)cc2)c1.
What is the InChIKey of 4-[2-[3-[2-(4-aminophenyl)propan-2-yl]phenyl]propan-2-yl]aniline?
The InChIKey is KWOIWTRRPFHBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2/c1-23(2,17-8-12-21(25)13-9-17)19-6-5-7-20(16-19)24(3,4)18-10-14-22(26)15-11-18/h5-16H,25-26H2,1-4H3.
What are the key properties of 4-[2-[3-[2-(4-aminophenyl)propan-2-yl]phenyl]propan-2-yl]aniline?
4-[2-[3-[2-(4-aminophenyl)propan-2-yl]phenyl]propan-2-yl]aniline has a molecular weight of 344.50 g/mol, XLogP of 5.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-[2-(4-aminophenyl)propan-2-yl]phenyl]propan-2-yl]aniline is sourced from PubChem (CID 3292101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).