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

C17H18FNO — CID 78978052

IUPAC4-fluoro-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc(CNC2CCc3c(F)cccc32)cc1
InChIInChI=1S/C17H18FNO/c1-20-13-7-5-12(6-8-13)11-19-17-10-9-14-15(17)3-2-4-16(14)18/h2-8,17,19H,9-11H2,1H3
InChIKeyYIJIYUZJFUYYEV-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.61
Rot. Bonds4

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

4-fluoro-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 78978052) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is 4-fluoro-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-fluoro-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID78978052
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name4-fluoro-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc(CNC2CCc3c(F)cccc32)cc1
InChIInChI=1S/C17H18FNO/c1-20-13-7-5-12(6-8-13)11-19-17-10-9-14-15(17)3-2-4-16(14)18/h2-8,17,19H,9-11H2,1H3
InChIKeyYIJIYUZJFUYYEV-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

4-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 79483751
4-fluoro-N-[(2-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 78978105
(1S)-N-[(2,3-dimethoxyphenyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 95588885
[3-[[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol
CID 103781789
4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 119123653
4-fluoro-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 61383392
N-[(4-ethylcyclohexyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 83065498
N-[(2-chlorophenyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 78978173
N-[(4-fluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366842
N-(2-butoxyethyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 79484036
4-fluoro-N-[2-(2-methoxyphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 103721632
N-[(1-ethylcyclopropyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 113251346

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-fluoro-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine (CID 78978052) is 4-fluoro-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-fluoro-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-fluoro-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine is COc1ccc(CNC2CCc3c(F)cccc32)cc1.
What is the InChIKey of 4-fluoro-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is YIJIYUZJFUYYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-20-13-7-5-12(6-8-13)11-19-17-10-9-14-15(17)3-2-4-16(14)18/h2-8,17,19H,9-11H2,1H3.
What are the key properties of 4-fluoro-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine?
4-fluoro-N-[(4-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-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 78978052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).