4-N-[1-(4-fluorophenyl)ethyl]-2-propoxybenzene-1,4-diamine

C17H21FN2O — CID 63676849

IUPAC4-N-[1-(4-fluorophenyl)ethyl]-2-propoxybenzene-1,4-diamine
SMILESCCCOc1cc(NC(C)c2ccc(F)cc2)ccc1N
InChIInChI=1S/C17H21FN2O/c1-3-10-21-17-11-15(8-9-16(17)19)20-12(2)13-4-6-14(18)7-5-13/h4-9,11-12,20H,3,10,19H2,1-2H3
InChIKeyHTUPCTMQQFTWME-UHFFFAOYSA-N
MW288.37 g/mol
LogP4.37
Rot. Bonds6

About 4-N-[1-(4-fluorophenyl)ethyl]-2-propoxybenzene-1,4-diamine

4-N-[1-(4-fluorophenyl)ethyl]-2-propoxybenzene-1,4-diamine (PubChem CID 63676849) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-N-[1-(4-fluorophenyl)ethyl]-2-propoxybenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[1-(4-fluorophenyl)ethyl]-2-propoxybenzene-1,4-diamine
PubChem CID63676849
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC Name4-N-[1-(4-fluorophenyl)ethyl]-2-propoxybenzene-1,4-diamine
SMILESCCCOc1cc(NC(C)c2ccc(F)cc2)ccc1N
InChIInChI=1S/C17H21FN2O/c1-3-10-21-17-11-15(8-9-16(17)19)20-12(2)13-4-6-14(18)7-5-13/h4-9,11-12,20H,3,10,19H2,1-2H3
InChIKeyHTUPCTMQQFTWME-UHFFFAOYSA-N
XLogP4.37
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-N-[1-(4-fluorophenyl)ethyl]-2-propoxybenzene-1,4-diamine 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-(4-amino-3-propoxyanilino)butan-2-ol
CID 64928452
2-(4-amino-3-propoxyanilino)-N-methylpropanamide
CID 55232152
4-N-octan-4-yl-2-propoxybenzene-1,4-diamine
CID 106022654
3-fluoro-N-[1-(4-propoxyphenyl)ethyl]aniline
CID 43094821
2-(4-amino-3-propoxyanilino)-N,N-dimethylpropanamide
CID 63672206
4-N-(2-methyl-1-thiophen-2-ylpropyl)-2-propoxybenzene-1,4-diamine
CID 63675669
3-chloro-N-(1-phenylethyl)-4-propoxyaniline
CID 63451288
4-bromo-3-fluoro-N-[1-(4-propoxyphenyl)ethyl]aniline
CID 65437836
3-bromo-4-fluoro-N-[1-(4-propoxyphenyl)ethyl]aniline
CID 104775825
4-N-(3-methylpentan-3-yl)-2-propoxybenzene-1,4-diamine
CID 114174133
4-N-phenyl-2-propoxybenzene-1,4-diamine
CID 55233336
4-N-(2-methylsulfanylethyl)-2-propoxybenzene-1,4-diamine
CID 63983761

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(4-fluorophenyl)ethyl]-2-propoxybenzene-1,4-diamine?
The IUPAC name of 4-N-[1-(4-fluorophenyl)ethyl]-2-propoxybenzene-1,4-diamine (CID 63676849) is 4-N-[1-(4-fluorophenyl)ethyl]-2-propoxybenzene-1,4-diamine.
What is the SMILES notation for 4-N-[1-(4-fluorophenyl)ethyl]-2-propoxybenzene-1,4-diamine?
The canonical SMILES for 4-N-[1-(4-fluorophenyl)ethyl]-2-propoxybenzene-1,4-diamine is CCCOc1cc(NC(C)c2ccc(F)cc2)ccc1N.
What is the InChIKey of 4-N-[1-(4-fluorophenyl)ethyl]-2-propoxybenzene-1,4-diamine?
The InChIKey is HTUPCTMQQFTWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-3-10-21-17-11-15(8-9-16(17)19)20-12(2)13-4-6-14(18)7-5-13/h4-9,11-12,20H,3,10,19H2,1-2H3.
What are the key properties of 4-N-[1-(4-fluorophenyl)ethyl]-2-propoxybenzene-1,4-diamine?
4-N-[1-(4-fluorophenyl)ethyl]-2-propoxybenzene-1,4-diamine has a molecular weight of 288.37 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(4-fluorophenyl)ethyl]-2-propoxybenzene-1,4-diamine is sourced from PubChem (CID 63676849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).