N-(4-fluorophenyl)-N'-(3-propoxyphenyl)ethane-1,2-diamine

C17H21FN2O — CID 54805927

IUPACN-(4-fluorophenyl)-N'-(3-propoxyphenyl)ethane-1,2-diamine
SMILESCCCOc1cccc(NCCNc2ccc(F)cc2)c1
InChIInChI=1S/C17H21FN2O/c1-2-12-21-17-5-3-4-16(13-17)20-11-10-19-15-8-6-14(18)7-9-15/h3-9,13,19-20H,2,10-12H2,1H3
InChIKeyQOKISOAJSMYQCP-UHFFFAOYSA-N
MW288.37 g/mol
LogP4.14
Rot. Bonds8

About N-(4-fluorophenyl)-N'-(3-propoxyphenyl)ethane-1,2-diamine

N-(4-fluorophenyl)-N'-(3-propoxyphenyl)ethane-1,2-diamine (PubChem CID 54805927) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N'-(3-propoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N'-(3-propoxyphenyl)ethane-1,2-diamine
PubChem CID54805927
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC NameN-(4-fluorophenyl)-N'-(3-propoxyphenyl)ethane-1,2-diamine
SMILESCCCOc1cccc(NCCNc2ccc(F)cc2)c1
InChIInChI=1S/C17H21FN2O/c1-2-12-21-17-5-3-4-16(13-17)20-11-10-19-15-8-6-14(18)7-9-15/h3-9,13,19-20H,2,10-12H2,1H3
InChIKeyQOKISOAJSMYQCP-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(3-ethoxyphenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine
CID 54808068
N'-(2,6-dimethylphenyl)-N-(3-propoxyphenyl)ethane-1,2-diamine
CID 54810103
N'-(3-heptoxyphenyl)-N-(4-heptoxyphenyl)ethane-1,2-diamine
CID 54808334
N-(3-methoxy-3-methylbutyl)-3-propoxyaniline
CID 102975708
N'-(3-heptoxyphenyl)-N-(4-phenoxyphenyl)ethane-1,2-diamine
CID 54806056
N-[(3-fluoro-4-methylphenyl)methyl]-3-propoxyaniline
CID 63645864
3-fluoro-N-[(3-propoxyphenyl)methyl]aniline
CID 39360349
N'-(3-hexoxyphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54808553
3-butoxy-N-octylaniline
CID 54800685
N-(4-hexoxyphenyl)-N'-(3-methoxyphenyl)ethane-1,2-diamine
CID 54806834
N-(3-hexoxyphenyl)-N'-(3-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54808523
N-[2-(2-methylphenyl)ethyl]-3-propoxyaniline
CID 54800496

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N'-(3-propoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N-(4-fluorophenyl)-N'-(3-propoxyphenyl)ethane-1,2-diamine (CID 54805927) is N-(4-fluorophenyl)-N'-(3-propoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(4-fluorophenyl)-N'-(3-propoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(4-fluorophenyl)-N'-(3-propoxyphenyl)ethane-1,2-diamine is CCCOc1cccc(NCCNc2ccc(F)cc2)c1.
What is the InChIKey of N-(4-fluorophenyl)-N'-(3-propoxyphenyl)ethane-1,2-diamine?
The InChIKey is QOKISOAJSMYQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-2-12-21-17-5-3-4-16(13-17)20-11-10-19-15-8-6-14(18)7-9-15/h3-9,13,19-20H,2,10-12H2,1H3.
What are the key properties of N-(4-fluorophenyl)-N'-(3-propoxyphenyl)ethane-1,2-diamine?
N-(4-fluorophenyl)-N'-(3-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-(4-fluorophenyl)-N'-(3-propoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 54805927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).