4-fluoro-5-methoxy-1-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,2-diamine

C17H19FN2O — CID 63598199

IUPAC4-fluoro-5-methoxy-1-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,2-diamine
SMILESCOc1cc(NC2CCc3ccccc3C2)c(N)cc1F
InChIInChI=1S/C17H19FN2O/c1-21-17-10-16(15(19)9-14(17)18)20-13-7-6-11-4-2-3-5-12(11)8-13/h2-5,9-10,13,20H,6-8,19H2,1H3
InChIKeyLDEJOVPYISWPTR-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.39
Rot. Bonds3

About 4-fluoro-5-methoxy-1-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,2-diamine

4-fluoro-5-methoxy-1-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,2-diamine (PubChem CID 63598199) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 4-fluoro-5-methoxy-1-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-5-methoxy-1-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,2-diamine
PubChem CID63598199
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name4-fluoro-5-methoxy-1-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,2-diamine
SMILESCOc1cc(NC2CCc3ccccc3C2)c(N)cc1F
InChIInChI=1S/C17H19FN2O/c1-21-17-10-16(15(19)9-14(17)18)20-13-7-6-11-4-2-3-5-12(11)8-13/h2-5,9-10,13,20H,6-8,19H2,1H3
InChIKeyLDEJOVPYISWPTR-UHFFFAOYSA-N
XLogP3.39
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methoxy-1-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,2-diamine?
The IUPAC name of 4-fluoro-5-methoxy-1-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,2-diamine (CID 63598199) is 4-fluoro-5-methoxy-1-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-5-methoxy-1-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,2-diamine?
The canonical SMILES for 4-fluoro-5-methoxy-1-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,2-diamine is COc1cc(NC2CCc3ccccc3C2)c(N)cc1F.
What is the InChIKey of 4-fluoro-5-methoxy-1-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,2-diamine?
The InChIKey is LDEJOVPYISWPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-21-17-10-16(15(19)9-14(17)18)20-13-7-6-11-4-2-3-5-12(11)8-13/h2-5,9-10,13,20H,6-8,19H2,1H3.
What are the key properties of 4-fluoro-5-methoxy-1-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,2-diamine?
4-fluoro-5-methoxy-1-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,2-diamine has a molecular weight of 286.35 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methoxy-1-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,2-diamine is sourced from PubChem (CID 63598199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).