4-[4-amino-N-(4-methylpentan-2-yl)anilino]phenol

C18H24N2O — CID 169324525

IUPAC4-[4-amino-N-(4-methylpentan-2-yl)anilino]phenol
SMILESCC(C)CC(C)N(c1ccc(N)cc1)c1ccc(O)cc1
InChIInChI=1S/C18H24N2O/c1-13(2)12-14(3)20(16-6-4-15(19)5-7-16)17-8-10-18(21)11-9-17/h4-11,13-14,21H,12,19H2,1-3H3
InChIKeyBKXNEZDXPKNSMR-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.55
Rot. Bonds5

About 4-[4-amino-N-(4-methylpentan-2-yl)anilino]phenol

4-[4-amino-N-(4-methylpentan-2-yl)anilino]phenol (PubChem CID 169324525) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-[4-amino-N-(4-methylpentan-2-yl)anilino]phenol.

Molecular Properties

Compound Name4-[4-amino-N-(4-methylpentan-2-yl)anilino]phenol
PubChem CID169324525
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name4-[4-amino-N-(4-methylpentan-2-yl)anilino]phenol
SMILESCC(C)CC(C)N(c1ccc(N)cc1)c1ccc(O)cc1
InChIInChI=1S/C18H24N2O/c1-13(2)12-14(3)20(16-6-4-15(19)5-7-16)17-8-10-18(21)11-9-17/h4-11,13-14,21H,12,19H2,1-3H3
InChIKeyBKXNEZDXPKNSMR-UHFFFAOYSA-N
XLogP4.55
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[4-amino-N-(4-methylpentan-2-yl)anilino]phenol 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

4-aminophenol;butane;methanamine
CID 145479199
1-(4-aminophenyl)-2-[methyl(4-methylpentan-2-yl)amino]ethanol
CID 55055823
4-[(1R)-1-amino-3-methylbutyl]phenol
CID 130812675
4-aminophenol;1-aminopropan-2-ol;methanethiol;propane
CID 153374410
4-[4-[methyl(4-methylpentan-2-yl)amino]butan-2-yl]aniline
CID 104501576
4-N,4-N-dimethylbenzene-1,4-diamine;4-phenylphenol
CID 155250845
lithium;4-aminophenol;hydride
CID 173115053
sodium;4-aminophenol;hydride
CID 173115063
N-(4-aminophenyl)-N,2-dimethylbutanamide
CID 43114423
4-(1-chloro-3-methylbutyl)phenol
CID 175072121
4-(3-methyl-1-sulfanylbutyl)phenol
CID 144560583
4-[methyl(2-methylpropyl)amino]phenol
CID 57245584

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-N-(4-methylpentan-2-yl)anilino]phenol?
The IUPAC name of 4-[4-amino-N-(4-methylpentan-2-yl)anilino]phenol (CID 169324525) is 4-[4-amino-N-(4-methylpentan-2-yl)anilino]phenol.
What is the SMILES notation for 4-[4-amino-N-(4-methylpentan-2-yl)anilino]phenol?
The canonical SMILES for 4-[4-amino-N-(4-methylpentan-2-yl)anilino]phenol is CC(C)CC(C)N(c1ccc(N)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-[4-amino-N-(4-methylpentan-2-yl)anilino]phenol?
The InChIKey is BKXNEZDXPKNSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-13(2)12-14(3)20(16-6-4-15(19)5-7-16)17-8-10-18(21)11-9-17/h4-11,13-14,21H,12,19H2,1-3H3.
What are the key properties of 4-[4-amino-N-(4-methylpentan-2-yl)anilino]phenol?
4-[4-amino-N-(4-methylpentan-2-yl)anilino]phenol has a molecular weight of 284.40 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-N-(4-methylpentan-2-yl)anilino]phenol is sourced from PubChem (CID 169324525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).