1-(2-fluorophenyl)-6-methoxy-2,3-dihydroinden-1-amine

C16H16FNO — CID 79375070

IUPAC1-(2-fluorophenyl)-6-methoxy-2,3-dihydroinden-1-amine
SMILESCOc1ccc2c(c1)C(N)(c1ccccc1F)CC2
InChIInChI=1S/C16H16FNO/c1-19-12-7-6-11-8-9-16(18,14(11)10-12)13-4-2-3-5-15(13)17/h2-7,10H,8-9,18H2,1H3
InChIKeyPUIRQFKKFMCIKB-UHFFFAOYSA-N
MW257.31 g/mol
LogP2.98
Rot. Bonds2

About 1-(2-fluorophenyl)-6-methoxy-2,3-dihydroinden-1-amine

1-(2-fluorophenyl)-6-methoxy-2,3-dihydroinden-1-amine (PubChem CID 79375070) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-6-methoxy-2,3-dihydroinden-1-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-6-methoxy-2,3-dihydroinden-1-amine
PubChem CID79375070
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name1-(2-fluorophenyl)-6-methoxy-2,3-dihydroinden-1-amine
SMILESCOc1ccc2c(c1)C(N)(c1ccccc1F)CC2
InChIInChI=1S/C16H16FNO/c1-19-12-7-6-11-8-9-16(18,14(11)10-12)13-4-2-3-5-15(13)17/h2-7,10H,8-9,18H2,1H3
InChIKeyPUIRQFKKFMCIKB-UHFFFAOYSA-N
XLogP2.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methoxy-1-phenyl-2,3-dihydroinden-1-amine
CID 79374582
1-(3-fluoro-4-methoxyphenyl)-6-methoxy-2,3-dihydroinden-1-amine
CID 79371978
1-(2,5-dimethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-amine
CID 62800508
1-[(2-fluorophenyl)methyl]-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 79233836
1-(3-methoxyphenyl)-2,3-dihydroinden-1-amine
CID 54919051
1-(4-methoxy-2-methylphenyl)-3,4-dihydro-2H-naphthalen-1-amine
CID 65313131
1-(3-fluoro-5-methylphenyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 79696984
1-(2,4-difluorophenyl)-2,3-dihydroinden-1-amine
CID 55120511
6-methoxy-1-(5-methylthiophen-3-yl)-2,3-dihydroinden-1-amine
CID 79375071
[1-(2-fluoroanilino)-6-methoxy-2,3-dihydroinden-1-yl]methanol
CID 79372158
1-(3,4-difluorophenyl)-6-methoxy-2,3-dihydroinden-1-ol
CID 79374991
(1'R,3R)-5-methoxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
CID 97048142

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-6-methoxy-2,3-dihydroinden-1-amine?
The IUPAC name of 1-(2-fluorophenyl)-6-methoxy-2,3-dihydroinden-1-amine (CID 79375070) is 1-(2-fluorophenyl)-6-methoxy-2,3-dihydroinden-1-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-6-methoxy-2,3-dihydroinden-1-amine?
The canonical SMILES for 1-(2-fluorophenyl)-6-methoxy-2,3-dihydroinden-1-amine is COc1ccc2c(c1)C(N)(c1ccccc1F)CC2.
What is the InChIKey of 1-(2-fluorophenyl)-6-methoxy-2,3-dihydroinden-1-amine?
The InChIKey is PUIRQFKKFMCIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c1-19-12-7-6-11-8-9-16(18,14(11)10-12)13-4-2-3-5-15(13)17/h2-7,10H,8-9,18H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-6-methoxy-2,3-dihydroinden-1-amine?
1-(2-fluorophenyl)-6-methoxy-2,3-dihydroinden-1-amine has a molecular weight of 257.31 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-6-methoxy-2,3-dihydroinden-1-amine is sourced from PubChem (CID 79375070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).