4-[4-amino-3-(2,2-dimethylpropoxy)phenyl]-2-(2,2-dimethylpropoxy)aniline

C22H32N2O2 — CID 139768522

IUPAC4-[4-amino-3-(2,2-dimethylpropoxy)phenyl]-2-(2,2-dimethylpropoxy)aniline
SMILESCC(C)(C)COc1cc(-c2ccc(N)c(OCC(C)(C)C)c2)ccc1N
InChIInChI=1S/C22H32N2O2/c1-21(2,3)13-25-19-11-15(7-9-17(19)23)16-8-10-18(24)20(12-16)26-14-22(4,5)6/h7-12H,13-14,23-24H2,1-6H3
InChIKeyDOKOAUTUZIESFN-UHFFFAOYSA-N
MW356.51 g/mol
LogP5.37
Rot. Bonds5

About 4-[4-amino-3-(2,2-dimethylpropoxy)phenyl]-2-(2,2-dimethylpropoxy)aniline

4-[4-amino-3-(2,2-dimethylpropoxy)phenyl]-2-(2,2-dimethylpropoxy)aniline (PubChem CID 139768522) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 4-[4-amino-3-(2,2-dimethylpropoxy)phenyl]-2-(2,2-dimethylpropoxy)aniline.

Molecular Properties

Compound Name4-[4-amino-3-(2,2-dimethylpropoxy)phenyl]-2-(2,2-dimethylpropoxy)aniline
PubChem CID139768522
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name4-[4-amino-3-(2,2-dimethylpropoxy)phenyl]-2-(2,2-dimethylpropoxy)aniline
SMILESCC(C)(C)COc1cc(-c2ccc(N)c(OCC(C)(C)C)c2)ccc1N
InChIInChI=1S/C22H32N2O2/c1-21(2,3)13-25-19-11-15(7-9-17(19)23)16-8-10-18(24)20(12-16)26-14-22(4,5)6/h7-12H,13-14,23-24H2,1-6H3
InChIKeyDOKOAUTUZIESFN-UHFFFAOYSA-N
XLogP5.37
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.51
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[4-amino-3-(2,2-dimethylpropoxy)phenyl]-2-(2,2-dimethylpropoxy)aniline with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-amino-2-methylpropoxy)-4-fluoroaniline
CID 117095575
4-[4-amino-3-(2-propan-2-yloxyethoxy)phenyl]-2-(2-propan-2-yloxyethoxy)aniline
CID 139768521
1-(2-amino-5-fluorophenoxy)-2-methylpropan-2-ol
CID 67395856
4-chloro-2-[2-(dimethylamino)-2-methylpropoxy]aniline
CID 115469310
4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;benzene
CID 157477717
4-(2,2-dimethylpropoxy)pyridin-3-amine
CID 97181806
4-amino-3-(2-carboxy-2-methylpropoxy)benzoic acid
CID 79621403
4-[4-amino-3-(2-hexoxyethoxy)phenyl]-2-(2-hexoxyethoxy)aniline
CID 139768534
4-[4-amino-3-(furan-2-ylmethoxy)phenyl]-2-(furan-2-ylmethoxy)aniline
CID 22741608
1,4-bis(2,2-dimethylpropoxy)-2,5-diiodobenzene
CID 86032793
4-amino-3-[2-(dimethylamino)-2-methylpropoxy]benzamide
CID 79680114
4-N-(2,2-dimethylpropyl)-2-ethoxybenzene-1,4-diamine
CID 63670004

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-3-(2,2-dimethylpropoxy)phenyl]-2-(2,2-dimethylpropoxy)aniline?
The IUPAC name of 4-[4-amino-3-(2,2-dimethylpropoxy)phenyl]-2-(2,2-dimethylpropoxy)aniline (CID 139768522) is 4-[4-amino-3-(2,2-dimethylpropoxy)phenyl]-2-(2,2-dimethylpropoxy)aniline.
What is the SMILES notation for 4-[4-amino-3-(2,2-dimethylpropoxy)phenyl]-2-(2,2-dimethylpropoxy)aniline?
The canonical SMILES for 4-[4-amino-3-(2,2-dimethylpropoxy)phenyl]-2-(2,2-dimethylpropoxy)aniline is CC(C)(C)COc1cc(-c2ccc(N)c(OCC(C)(C)C)c2)ccc1N.
What is the InChIKey of 4-[4-amino-3-(2,2-dimethylpropoxy)phenyl]-2-(2,2-dimethylpropoxy)aniline?
The InChIKey is DOKOAUTUZIESFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-21(2,3)13-25-19-11-15(7-9-17(19)23)16-8-10-18(24)20(12-16)26-14-22(4,5)6/h7-12H,13-14,23-24H2,1-6H3.
What are the key properties of 4-[4-amino-3-(2,2-dimethylpropoxy)phenyl]-2-(2,2-dimethylpropoxy)aniline?
4-[4-amino-3-(2,2-dimethylpropoxy)phenyl]-2-(2,2-dimethylpropoxy)aniline has a molecular weight of 356.51 g/mol, XLogP of 5.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-3-(2,2-dimethylpropoxy)phenyl]-2-(2,2-dimethylpropoxy)aniline is sourced from PubChem (CID 139768522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).