4-[4-amino-3-(2-propan-2-yloxyethoxy)phenyl]-2-(2-propan-2-yloxyethoxy)aniline

C22H32N2O4 — CID 139768521

IUPAC4-[4-amino-3-(2-propan-2-yloxyethoxy)phenyl]-2-(2-propan-2-yloxyethoxy)aniline
SMILESCC(C)OCCOc1cc(-c2ccc(N)c(OCCOC(C)C)c2)ccc1N
InChIInChI=1S/C22H32N2O4/c1-15(2)25-9-11-27-21-13-17(5-7-19(21)23)18-6-8-20(24)22(14-18)28-12-10-26-16(3)4/h5-8,13-16H,9-12,23-24H2,1-4H3
InChIKeyUORHZANSUXVLBJ-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.13
Rot. Bonds11

About 4-[4-amino-3-(2-propan-2-yloxyethoxy)phenyl]-2-(2-propan-2-yloxyethoxy)aniline

4-[4-amino-3-(2-propan-2-yloxyethoxy)phenyl]-2-(2-propan-2-yloxyethoxy)aniline (PubChem CID 139768521) has the molecular formula C22H32N2O4 and a molecular weight of 388.51 g/mol. Its IUPAC name is 4-[4-amino-3-(2-propan-2-yloxyethoxy)phenyl]-2-(2-propan-2-yloxyethoxy)aniline.

Molecular Properties

Compound Name4-[4-amino-3-(2-propan-2-yloxyethoxy)phenyl]-2-(2-propan-2-yloxyethoxy)aniline
PubChem CID139768521
Molecular FormulaC22H32N2O4
Molecular Weight388.51 g/mol
Exact Mass388.24
IUPAC Name4-[4-amino-3-(2-propan-2-yloxyethoxy)phenyl]-2-(2-propan-2-yloxyethoxy)aniline
SMILESCC(C)OCCOc1cc(-c2ccc(N)c(OCCOC(C)C)c2)ccc1N
InChIInChI=1S/C22H32N2O4/c1-15(2)25-9-11-27-21-13-17(5-7-19(21)23)18-6-8-20(24)22(14-18)28-12-10-26-16(3)4/h5-8,13-16H,9-12,23-24H2,1-4H3
InChIKeyUORHZANSUXVLBJ-UHFFFAOYSA-N
XLogP4.13
TPSA88.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-methyl-3-(2-propan-2-yloxyethoxy)benzenesulfonamide
CID 82901458
4-[4-amino-3-(2-hexoxyethoxy)phenyl]-2-(2-hexoxyethoxy)aniline
CID 139768534
5-methylsulfonyl-2-(2-propan-2-yloxyethoxy)aniline
CID 43382647
4-[4-amino-3-(2,2-dimethylpropoxy)phenyl]-2-(2,2-dimethylpropoxy)aniline
CID 139768522
3-amino-N,N-dimethyl-4-(2-propan-2-yloxyethoxy)benzamide
CID 82992732
6-(2-propan-2-yloxyethoxy)-2-propoxypyridin-3-amine
CID 43262302
4-N,4-N-dimethyl-2-(3-methylbutoxy)benzene-1,4-diamine
CID 79588986
[5-methyl-2-(2-propan-2-yloxyethoxy)phenyl]methanamine
CID 63322374
2-(2-propan-2-yloxyethoxy)phenol
CID 61484898
1-phenyl-2-(2-propan-2-yloxyethoxy)benzene
CID 71073529
4-[4-amino-3-[3-(3,4-dimethylpyrrol-1-yl)-2-methylpropoxy]phenyl]-2-[3-(3,4-dimethylpyrrol-1-yl)-2-methylpropoxy]aniline
CID 176909473
4-fluoro-2-[2-(2-methylpropoxy)ethoxy]aniline
CID 106446718

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-3-(2-propan-2-yloxyethoxy)phenyl]-2-(2-propan-2-yloxyethoxy)aniline?
The IUPAC name of 4-[4-amino-3-(2-propan-2-yloxyethoxy)phenyl]-2-(2-propan-2-yloxyethoxy)aniline (CID 139768521) is 4-[4-amino-3-(2-propan-2-yloxyethoxy)phenyl]-2-(2-propan-2-yloxyethoxy)aniline.
What is the SMILES notation for 4-[4-amino-3-(2-propan-2-yloxyethoxy)phenyl]-2-(2-propan-2-yloxyethoxy)aniline?
The canonical SMILES for 4-[4-amino-3-(2-propan-2-yloxyethoxy)phenyl]-2-(2-propan-2-yloxyethoxy)aniline is CC(C)OCCOc1cc(-c2ccc(N)c(OCCOC(C)C)c2)ccc1N.
What is the InChIKey of 4-[4-amino-3-(2-propan-2-yloxyethoxy)phenyl]-2-(2-propan-2-yloxyethoxy)aniline?
The InChIKey is UORHZANSUXVLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O4/c1-15(2)25-9-11-27-21-13-17(5-7-19(21)23)18-6-8-20(24)22(14-18)28-12-10-26-16(3)4/h5-8,13-16H,9-12,23-24H2,1-4H3.
What are the key properties of 4-[4-amino-3-(2-propan-2-yloxyethoxy)phenyl]-2-(2-propan-2-yloxyethoxy)aniline?
4-[4-amino-3-(2-propan-2-yloxyethoxy)phenyl]-2-(2-propan-2-yloxyethoxy)aniline has a molecular weight of 388.51 g/mol, XLogP of 4.13, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-3-(2-propan-2-yloxyethoxy)phenyl]-2-(2-propan-2-yloxyethoxy)aniline is sourced from PubChem (CID 139768521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).