N'-(2-fluorophenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine

C17H21FN2O — CID 54810146

IUPACN'-(2-fluorophenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine
SMILESCCCOc1ccc(NCCNc2ccccc2F)cc1
InChIInChI=1S/C17H21FN2O/c1-2-13-21-15-9-7-14(8-10-15)19-11-12-20-17-6-4-3-5-16(17)18/h3-10,19-20H,2,11-13H2,1H3
InChIKeyBSZQGRKXMPVFFG-UHFFFAOYSA-N
MW288.37 g/mol
LogP4.14
Rot. Bonds8

About N'-(2-fluorophenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine

N'-(2-fluorophenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine (PubChem CID 54810146) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is N'-(2-fluorophenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-fluorophenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine
PubChem CID54810146
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC NameN'-(2-fluorophenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine
SMILESCCCOc1ccc(NCCNc2ccccc2F)cc1
InChIInChI=1S/C17H21FN2O/c1-2-13-21-15-9-7-14(8-10-15)19-11-12-20-17-6-4-3-5-16(17)18/h3-10,19-20H,2,11-13H2,1H3
InChIKeyBSZQGRKXMPVFFG-UHFFFAOYSA-N
XLogP4.14
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(4-chlorophenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine
CID 54806067
N-(2-phenoxyethyl)-4-propoxyaniline
CID 54799062
N'-(2-fluorophenyl)-N-(4-phenoxyphenyl)ethane-1,2-diamine
CID 54805518
N'-(2-butoxyphenyl)-N-(4-hexoxyphenyl)ethane-1,2-diamine
CID 54808512
4-chloro-N-[2-(4-propoxyphenoxy)ethyl]aniline
CID 63517333
3-methyl-1-N-(4-propoxyphenyl)butane-1,3-diamine
CID 112753914
2-fluoro-N-[(3-propoxyphenyl)methyl]aniline
CID 39360348
N-[2-(4-methylphenoxy)ethyl]-4-propoxyaniline
CID 54799087
4-methyl-N-[2-(4-propoxyphenoxy)ethyl]aniline
CID 63517332
N'-(3-ethoxyphenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine
CID 54808068
N-[2-(2-chlorophenoxy)ethyl]-4-propoxyaniline
CID 54798999
N-(2-fluorophenyl)-2-(4-heptoxyanilino)acetamide
CID 54821927

Frequently Asked Questions

What is the IUPAC name of N'-(2-fluorophenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-fluorophenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine (CID 54810146) is N'-(2-fluorophenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-fluorophenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-fluorophenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine is CCCOc1ccc(NCCNc2ccccc2F)cc1.
What is the InChIKey of N'-(2-fluorophenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine?
The InChIKey is BSZQGRKXMPVFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-2-13-21-15-9-7-14(8-10-15)19-11-12-20-17-6-4-3-5-16(17)18/h3-10,19-20H,2,11-13H2,1H3.
What are the key properties of N'-(2-fluorophenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine?
N'-(2-fluorophenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine has a molecular weight of 288.37 g/mol, XLogP of 4.14, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluorophenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 54810146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).