4-[[4-amino-2,6-di(propan-2-yl)phenyl]methyl]-3,5-di(propan-2-yl)aniline

C25H38N2 — CID 3086039

IUPAC4-[[4-amino-2,6-di(propan-2-yl)phenyl]methyl]-3,5-di(propan-2-yl)aniline
SMILESCC(C)c1cc(N)cc(C(C)C)c1Cc1c(C(C)C)cc(N)cc1C(C)C
InChIInChI=1S/C25H38N2/c1-14(2)20-9-18(26)10-21(15(3)4)24(20)13-25-22(16(5)6)11-19(27)12-23(25)17(7)8/h9-12,14-17H,13,26-27H2,1-8H3
InChIKeyVVBKSDWNRJEBKV-UHFFFAOYSA-N
MW366.59 g/mol
LogP6.94
Rot. Bonds6

About 4-[[4-amino-2,6-di(propan-2-yl)phenyl]methyl]-3,5-di(propan-2-yl)aniline

4-[[4-amino-2,6-di(propan-2-yl)phenyl]methyl]-3,5-di(propan-2-yl)aniline (PubChem CID 3086039) has the molecular formula C25H38N2 and a molecular weight of 366.59 g/mol. Its IUPAC name is 4-[[4-amino-2,6-di(propan-2-yl)phenyl]methyl]-3,5-di(propan-2-yl)aniline.

Molecular Properties

Compound Name4-[[4-amino-2,6-di(propan-2-yl)phenyl]methyl]-3,5-di(propan-2-yl)aniline
PubChem CID3086039
Molecular FormulaC25H38N2
Molecular Weight366.59 g/mol
Exact Mass366.30
IUPAC Name4-[[4-amino-2,6-di(propan-2-yl)phenyl]methyl]-3,5-di(propan-2-yl)aniline
SMILESCC(C)c1cc(N)cc(C(C)C)c1Cc1c(C(C)C)cc(N)cc1C(C)C
InChIInChI=1S/C25H38N2/c1-14(2)20-9-18(26)10-21(15(3)4)24(20)13-25-22(16(5)6)11-19(27)12-23(25)17(7)8/h9-12,14-17H,13,26-27H2,1-8H3
InChIKeyVVBKSDWNRJEBKV-UHFFFAOYSA-N
XLogP6.94
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.59
LogP ≤ 56.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[[4-amino-2,6-di(propan-2-yl)phenyl]methyl]-3,5-di(propan-2-yl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[4-amino-2,6-di(propan-2-yl)phenyl]methyl]-3,5-di(propan-2-yl)aniline?
The IUPAC name of 4-[[4-amino-2,6-di(propan-2-yl)phenyl]methyl]-3,5-di(propan-2-yl)aniline (CID 3086039) is 4-[[4-amino-2,6-di(propan-2-yl)phenyl]methyl]-3,5-di(propan-2-yl)aniline.
What is the SMILES notation for 4-[[4-amino-2,6-di(propan-2-yl)phenyl]methyl]-3,5-di(propan-2-yl)aniline?
The canonical SMILES for 4-[[4-amino-2,6-di(propan-2-yl)phenyl]methyl]-3,5-di(propan-2-yl)aniline is CC(C)c1cc(N)cc(C(C)C)c1Cc1c(C(C)C)cc(N)cc1C(C)C.
What is the InChIKey of 4-[[4-amino-2,6-di(propan-2-yl)phenyl]methyl]-3,5-di(propan-2-yl)aniline?
The InChIKey is VVBKSDWNRJEBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N2/c1-14(2)20-9-18(26)10-21(15(3)4)24(20)13-25-22(16(5)6)11-19(27)12-23(25)17(7)8/h9-12,14-17H,13,26-27H2,1-8H3.
What are the key properties of 4-[[4-amino-2,6-di(propan-2-yl)phenyl]methyl]-3,5-di(propan-2-yl)aniline?
4-[[4-amino-2,6-di(propan-2-yl)phenyl]methyl]-3,5-di(propan-2-yl)aniline has a molecular weight of 366.59 g/mol, XLogP of 6.94, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-amino-2,6-di(propan-2-yl)phenyl]methyl]-3,5-di(propan-2-yl)aniline is sourced from PubChem (CID 3086039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).