4-fluoro-N-[(2-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine

C17H18FNO — CID 78978105

IUPAC4-fluoro-N-[(2-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccccc1CNC1CCc2c(F)cccc21
InChIInChI=1S/C17H18FNO/c1-20-17-8-3-2-5-12(17)11-19-16-10-9-13-14(16)6-4-7-15(13)18/h2-8,16,19H,9-11H2,1H3
InChIKeyJJWJODKYESSWFB-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.61
Rot. Bonds4

About 4-fluoro-N-[(2-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine

4-fluoro-N-[(2-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 78978105) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is 4-fluoro-N-[(2-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-fluoro-N-[(2-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID78978105
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name4-fluoro-N-[(2-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccccc1CNC1CCc2c(F)cccc21
InChIInChI=1S/C17H18FNO/c1-20-17-8-3-2-5-12(17)11-19-16-10-9-13-14(16)6-4-7-15(13)18/h2-8,16,19H,9-11H2,1H3
InChIKeyJJWJODKYESSWFB-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-[(2,3-dimethoxyphenyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 95588885
4-fluoro-N-[2-(2-methoxyphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 103721632
N-[(2-chlorophenyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 78978173
4-fluoro-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 78978052
N-[(2-fluoro-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 104791593
4-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 79483751
N-[(2,3-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 43181895
4-fluoro-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 61383392
N-ethyl-4-methoxy-2,3-dihydro-1H-inden-1-amine
CID 61383418
4-fluoro-N-[(3-methyloxetan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 79491863
N-[(4-ethylcyclohexyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 83065498
1-[(2-chloro-6-methoxyphenyl)methylamino]-2,3-dihydro-1H-inden-4-ol
CID 103291925

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(2-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-fluoro-N-[(2-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine (CID 78978105) is 4-fluoro-N-[(2-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-fluoro-N-[(2-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-fluoro-N-[(2-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine is COc1ccccc1CNC1CCc2c(F)cccc21.
What is the InChIKey of 4-fluoro-N-[(2-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is JJWJODKYESSWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-20-17-8-3-2-5-12(17)11-19-16-10-9-13-14(16)6-4-7-15(13)18/h2-8,16,19H,9-11H2,1H3.
What are the key properties of 4-fluoro-N-[(2-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine?
4-fluoro-N-[(2-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 271.34 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(2-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 78978105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).