1-(2,3-dihydro-1H-inden-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine

C18H20FNO — CID 43487646

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(OC)c(F)c1)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H20FNO/c1-20-18(15-8-9-17(21-2)16(19)11-15)14-7-6-12-4-3-5-13(12)10-14/h6-11,18,20H,3-5H2,1-2H3
InChIKeyKBMMUTRWIQKRIC-UHFFFAOYSA-N
MW285.36 g/mol
LogP3.63
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine

1-(2,3-dihydro-1H-inden-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine (PubChem CID 43487646) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
PubChem CID43487646
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(OC)c(F)c1)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H20FNO/c1-20-18(15-8-9-17(21-2)16(19)11-15)14-7-6-12-4-3-5-13(12)10-14/h6-11,18,20H,3-5H2,1-2H3
InChIKeyKBMMUTRWIQKRIC-UHFFFAOYSA-N
XLogP3.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-2,3-dihydro-1H-indene
CID 63440402
1-(3-fluoro-4-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 81288273
1-(4-chloro-3-fluorophenyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 107998576
1-(2-methoxyphenyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 43480670
1-(2,3-dihydro-1H-inden-5-yl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 81126472
2-(2,3-dihydro-1H-inden-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 65101112
1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
CID 103302367
1-(3-fluoro-4-methoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954300
1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-pyridazin-4-ylmethanamine
CID 105144593
1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 62919545
1-(3,5-dibromophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine
CID 107979764
1-(2,4-difluoro-5-methylphenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine
CID 79725625

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine (CID 43487646) is 1-(2,3-dihydro-1H-inden-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine is CNC(c1ccc(OC)c(F)c1)c1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine?
The InChIKey is KBMMUTRWIQKRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-20-18(15-8-9-17(21-2)16(19)11-15)14-7-6-12-4-3-5-13(12)10-14/h6-11,18,20H,3-5H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine?
1-(2,3-dihydro-1H-inden-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine has a molecular weight of 285.36 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 43487646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).