1-N-ethyl-2-fluoro-1-N-naphthalen-1-ylbenzene-1,4-diamine

C18H17FN2 — CID 28972599

IUPAC1-N-ethyl-2-fluoro-1-N-naphthalen-1-ylbenzene-1,4-diamine
SMILESCCN(c1ccc(N)cc1F)c1cccc2ccccc12
InChIInChI=1S/C18H17FN2/c1-2-21(18-11-10-14(20)12-16(18)19)17-9-5-7-13-6-3-4-8-15(13)17/h3-12H,2,20H2,1H3
InChIKeyLNIIKERAKNNBMY-UHFFFAOYSA-N
MW280.35 g/mol
LogP4.72
Rot. Bonds3

About 1-N-ethyl-2-fluoro-1-N-naphthalen-1-ylbenzene-1,4-diamine

1-N-ethyl-2-fluoro-1-N-naphthalen-1-ylbenzene-1,4-diamine (PubChem CID 28972599) has the molecular formula C18H17FN2 and a molecular weight of 280.35 g/mol. Its IUPAC name is 1-N-ethyl-2-fluoro-1-N-naphthalen-1-ylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-ethyl-2-fluoro-1-N-naphthalen-1-ylbenzene-1,4-diamine
PubChem CID28972599
Molecular FormulaC18H17FN2
Molecular Weight280.35 g/mol
Exact Mass280.14
IUPAC Name1-N-ethyl-2-fluoro-1-N-naphthalen-1-ylbenzene-1,4-diamine
SMILESCCN(c1ccc(N)cc1F)c1cccc2ccccc12
InChIInChI=1S/C18H17FN2/c1-2-21(18-11-10-14(20)12-16(18)19)17-9-5-7-13-6-3-4-8-15(13)17/h3-12H,2,20H2,1H3
InChIKeyLNIIKERAKNNBMY-UHFFFAOYSA-N
XLogP4.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N,1-N-diethyl-2-fluorobenzene-1,4-diamine;ethane
CID 170720348
N-ethyl-N-phenylnaphthalen-1-amine;methane
CID 143268632
2-N-ethyl-2-N-naphthalen-1-ylpyrimidine-2,4-diamine
CID 116796277
N-ethyl-6-fluoro-N-naphthalen-1-ylpyrimidin-4-amine
CID 115416248
6-bromo-2-N-ethyl-2-N-naphthalen-1-ylpyrimidine-2,4-diamine
CID 116796276
8-N-ethyl-8-N-(2-fluorophenyl)isoquinoline-5,8-diamine
CID 103138033
3-chloro-1-N-ethyl-1-N-(2-fluorophenyl)benzene-1,2-diamine
CID 104834416
1-ethyl-1-naphthalen-1-ylhydrazine
CID 55252593
2-chloro-1-N-ethyl-1-N-(2-methylphenyl)benzene-1,4-diamine
CID 29039749
1-N-ethyl-4-fluoro-1-N-(2-fluorophenyl)-5-methylbenzene-1,2-diamine
CID 103590266
4-N-ethyl-6-N-methyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
CID 22545734
5-bromo-N-ethyl-4-methyl-N-naphthalen-1-ylpyridin-2-amine
CID 114870225

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-2-fluoro-1-N-naphthalen-1-ylbenzene-1,4-diamine?
The IUPAC name of 1-N-ethyl-2-fluoro-1-N-naphthalen-1-ylbenzene-1,4-diamine (CID 28972599) is 1-N-ethyl-2-fluoro-1-N-naphthalen-1-ylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-ethyl-2-fluoro-1-N-naphthalen-1-ylbenzene-1,4-diamine?
The canonical SMILES for 1-N-ethyl-2-fluoro-1-N-naphthalen-1-ylbenzene-1,4-diamine is CCN(c1ccc(N)cc1F)c1cccc2ccccc12.
What is the InChIKey of 1-N-ethyl-2-fluoro-1-N-naphthalen-1-ylbenzene-1,4-diamine?
The InChIKey is LNIIKERAKNNBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2/c1-2-21(18-11-10-14(20)12-16(18)19)17-9-5-7-13-6-3-4-8-15(13)17/h3-12H,2,20H2,1H3.
What are the key properties of 1-N-ethyl-2-fluoro-1-N-naphthalen-1-ylbenzene-1,4-diamine?
1-N-ethyl-2-fluoro-1-N-naphthalen-1-ylbenzene-1,4-diamine has a molecular weight of 280.35 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-2-fluoro-1-N-naphthalen-1-ylbenzene-1,4-diamine is sourced from PubChem (CID 28972599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).