1-(3-fluoro-4-methoxyphenyl)-6-methoxy-2,3-dihydroinden-1-amine

C17H18FNO2 — CID 79371978

IUPAC1-(3-fluoro-4-methoxyphenyl)-6-methoxy-2,3-dihydroinden-1-amine
SMILESCOc1ccc2c(c1)C(N)(c1ccc(OC)c(F)c1)CC2
InChIInChI=1S/C17H18FNO2/c1-20-13-5-3-11-7-8-17(19,14(11)10-13)12-4-6-16(21-2)15(18)9-12/h3-6,9-10H,7-8,19H2,1-2H3
InChIKeyZLNOHUUDVGHJMH-UHFFFAOYSA-N
MW287.33 g/mol
LogP2.99
Rot. Bonds3

About 1-(3-fluoro-4-methoxyphenyl)-6-methoxy-2,3-dihydroinden-1-amine

1-(3-fluoro-4-methoxyphenyl)-6-methoxy-2,3-dihydroinden-1-amine (PubChem CID 79371978) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-6-methoxy-2,3-dihydroinden-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-6-methoxy-2,3-dihydroinden-1-amine
PubChem CID79371978
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-6-methoxy-2,3-dihydroinden-1-amine
SMILESCOc1ccc2c(c1)C(N)(c1ccc(OC)c(F)c1)CC2
InChIInChI=1S/C17H18FNO2/c1-20-13-5-3-11-7-8-17(19,14(11)10-13)12-4-6-16(21-2)15(18)9-12/h3-6,9-10H,7-8,19H2,1-2H3
InChIKeyZLNOHUUDVGHJMH-UHFFFAOYSA-N
XLogP2.99
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-1-phenyl-2,3-dihydroinden-1-amine
CID 79374582
1-(2-fluorophenyl)-6-methoxy-2,3-dihydroinden-1-amine
CID 79375070
1-(3-fluoro-5-methylphenyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 79696984
1-(2,5-dimethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-amine
CID 62800508
6-methoxy-1-(5-methylthiophen-3-yl)-2,3-dihydroinden-1-amine
CID 79375071
1-(3,4-difluorophenyl)-6-methoxy-2,3-dihydroinden-1-ol
CID 79374991
1-(3-fluoro-4-methoxyphenyl)cyclobutan-1-amine;hydrochloride
CID 162691811
1-(3-methoxyphenyl)-2,3-dihydroinden-1-amine
CID 54919051
1-(aminomethyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 79248291
1-[(2-fluorophenyl)methyl]-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 79233836
[1-(3-fluoro-4-methoxyphenyl)cyclobutyl]methanamine
CID 131328420
1-ethyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 79240760

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-6-methoxy-2,3-dihydroinden-1-amine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-6-methoxy-2,3-dihydroinden-1-amine (CID 79371978) is 1-(3-fluoro-4-methoxyphenyl)-6-methoxy-2,3-dihydroinden-1-amine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-6-methoxy-2,3-dihydroinden-1-amine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-6-methoxy-2,3-dihydroinden-1-amine is COc1ccc2c(c1)C(N)(c1ccc(OC)c(F)c1)CC2.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-6-methoxy-2,3-dihydroinden-1-amine?
The InChIKey is ZLNOHUUDVGHJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-20-13-5-3-11-7-8-17(19,14(11)10-13)12-4-6-16(21-2)15(18)9-12/h3-6,9-10H,7-8,19H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-6-methoxy-2,3-dihydroinden-1-amine?
1-(3-fluoro-4-methoxyphenyl)-6-methoxy-2,3-dihydroinden-1-amine has a molecular weight of 287.33 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-6-methoxy-2,3-dihydroinden-1-amine is sourced from PubChem (CID 79371978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).