5-fluoro-N-(3-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine

C16H16FNO — CID 115916737

IUPAC5-fluoro-N-(3-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine
SMILESCOc1cccc(NC2CCc3cc(F)ccc32)c1
InChIInChI=1S/C16H16FNO/c1-19-14-4-2-3-13(10-14)18-16-8-5-11-9-12(17)6-7-15(11)16/h2-4,6-7,9-10,16,18H,5,8H2,1H3
InChIKeyUKYUTAUONHDWGG-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.93
Rot. Bonds3

About 5-fluoro-N-(3-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine

5-fluoro-N-(3-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 115916737) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is 5-fluoro-N-(3-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-fluoro-N-(3-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID115916737
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name5-fluoro-N-(3-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine
SMILESCOc1cccc(NC2CCc3cc(F)ccc32)c1
InChIInChI=1S/C16H16FNO/c1-19-14-4-2-3-13(10-14)18-16-8-5-11-9-12(17)6-7-15(11)16/h2-4,6-7,9-10,16,18H,5,8H2,1H3
InChIKeyUKYUTAUONHDWGG-UHFFFAOYSA-N
XLogP3.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-fluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79367397
5-fluoro-N-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-inden-1-amine
CID 115918170
5-fluoro-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-amine
CID 116530756
N-(3-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79239496
N-(4-ethoxyphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 115915933
3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid
CID 116530834
N-[4-(difluoromethoxy)phenyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 115917148
5-fluoro-N-(4-iodophenyl)-2,3-dihydro-1H-inden-1-amine
CID 116530824
N-(3-chlorophenyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43094337
N-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116531042
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 115929026
1-N-(3-ethoxyphenyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79730721

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(3-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-fluoro-N-(3-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine (CID 115916737) is 5-fluoro-N-(3-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-fluoro-N-(3-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-fluoro-N-(3-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine is COc1cccc(NC2CCc3cc(F)ccc32)c1.
What is the InChIKey of 5-fluoro-N-(3-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is UKYUTAUONHDWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c1-19-14-4-2-3-13(10-14)18-16-8-5-11-9-12(17)6-7-15(11)16/h2-4,6-7,9-10,16,18H,5,8H2,1H3.
What are the key properties of 5-fluoro-N-(3-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine?
5-fluoro-N-(3-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 257.31 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(3-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 115916737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).