4-(4-aminophenyl)-2,3-dibutoxyaniline

C20H28N2O2 — CID 19931595

IUPAC4-(4-aminophenyl)-2,3-dibutoxyaniline
SMILESCCCCOc1c(N)ccc(-c2ccc(N)cc2)c1OCCCC
InChIInChI=1S/C20H28N2O2/c1-3-5-13-23-19-17(15-7-9-16(21)10-8-15)11-12-18(22)20(19)24-14-6-4-2/h7-12H,3-6,13-14,21-22H2,1-2H3
InChIKeyPQHQLDUCEFBAIY-UHFFFAOYSA-N
MW328.46 g/mol
LogP4.88
Rot. Bonds9

About 4-(4-aminophenyl)-2,3-dibutoxyaniline

4-(4-aminophenyl)-2,3-dibutoxyaniline (PubChem CID 19931595) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 4-(4-aminophenyl)-2,3-dibutoxyaniline.

Molecular Properties

Compound Name4-(4-aminophenyl)-2,3-dibutoxyaniline
PubChem CID19931595
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name4-(4-aminophenyl)-2,3-dibutoxyaniline
SMILESCCCCOc1c(N)ccc(-c2ccc(N)cc2)c1OCCCC
InChIInChI=1S/C20H28N2O2/c1-3-5-13-23-19-17(15-7-9-16(21)10-8-15)11-12-18(22)20(19)24-14-6-4-2/h7-12H,3-6,13-14,21-22H2,1-2H3
InChIKeyPQHQLDUCEFBAIY-UHFFFAOYSA-N
XLogP4.88
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4-aminophenyl)-2,3-dimethoxyaniline;hydrochloride
CID 174602053
2-(4-butylphenyl)benzene-1,4-diamine;dihydrochloride
CID 18371792
4-heptoxybenzene-1,2-diamine
CID 54795786
4-[(4-butoxyphenyl)diazenyl]aniline
CID 3684446
5-butoxynaphthalen-1-amine
CID 67167958
4-(4-aminophenyl)-2-fluoro-5-propoxyaniline
CID 175129917
2-butoxybenzene-1,3-diol
CID 101011168
4-(2-pentoxyethoxy)aniline
CID 43274923
azane;ethane;ethene;4-octadecoxyaniline
CID 142260214
4-methylaniline;2-tetradecoxyaniline
CID 158200068
4-[4-[4-[2-(4-aminophenoxy)ethoxy]phenyl]phenyl]aniline
CID 145159211
benzene-1,4-diamine;pentan-1-ol
CID 174707201

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-2,3-dibutoxyaniline?
The IUPAC name of 4-(4-aminophenyl)-2,3-dibutoxyaniline (CID 19931595) is 4-(4-aminophenyl)-2,3-dibutoxyaniline.
What is the SMILES notation for 4-(4-aminophenyl)-2,3-dibutoxyaniline?
The canonical SMILES for 4-(4-aminophenyl)-2,3-dibutoxyaniline is CCCCOc1c(N)ccc(-c2ccc(N)cc2)c1OCCCC.
What is the InChIKey of 4-(4-aminophenyl)-2,3-dibutoxyaniline?
The InChIKey is PQHQLDUCEFBAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-3-5-13-23-19-17(15-7-9-16(21)10-8-15)11-12-18(22)20(19)24-14-6-4-2/h7-12H,3-6,13-14,21-22H2,1-2H3.
What are the key properties of 4-(4-aminophenyl)-2,3-dibutoxyaniline?
4-(4-aminophenyl)-2,3-dibutoxyaniline has a molecular weight of 328.46 g/mol, XLogP of 4.88, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-2,3-dibutoxyaniline is sourced from PubChem (CID 19931595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).