5-fluoro-N-[1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine

C18H20FN — CID 115710200

IUPAC5-fluoro-N-[1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESCc1ccc(C(C)NC2CCc3cc(F)ccc32)cc1
InChIInChI=1S/C18H20FN/c1-12-3-5-14(6-4-12)13(2)20-18-10-7-15-11-16(19)8-9-17(15)18/h3-6,8-9,11,13,18,20H,7,10H2,1-2H3
InChIKeyNEFPKHYZRYHDIG-UHFFFAOYSA-N
MW269.36 g/mol
LogP4.47
Rot. Bonds3

About 5-fluoro-N-[1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine

5-fluoro-N-[1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 115710200) has the molecular formula C18H20FN and a molecular weight of 269.36 g/mol. Its IUPAC name is 5-fluoro-N-[1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-fluoro-N-[1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID115710200
Molecular FormulaC18H20FN
Molecular Weight269.36 g/mol
Exact Mass269.16
IUPAC Name5-fluoro-N-[1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESCc1ccc(C(C)NC2CCc3cc(F)ccc32)cc1
InChIInChI=1S/C18H20FN/c1-12-3-5-14(6-4-12)13(2)20-18-10-7-15-11-16(19)8-9-17(15)18/h3-6,8-9,11,13,18,20H,7,10H2,1-2H3
InChIKeyNEFPKHYZRYHDIG-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 103905296
N-[1-(3,4-dichlorophenyl)ethyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 115663658
5-bromo-N-[1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 61070069
N-[(1R)-1-(2-chlorophenyl)ethyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 104889840
5-[[(1S)-1-(4-methylphenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 81347712
5-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 81369563
N-[1-(5-chlorothiophen-2-yl)ethyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 115708438
N-[1-(3,4-difluorophenyl)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 78956222
(2S)-2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 104980476
5-fluoro-N-[1-(oxan-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 103779432
5-fluoro-N-(1-methylsulfonylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 115889805
1-N-[1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79724744

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-fluoro-N-[1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine (CID 115710200) is 5-fluoro-N-[1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-fluoro-N-[1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-fluoro-N-[1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine is Cc1ccc(C(C)NC2CCc3cc(F)ccc32)cc1.
What is the InChIKey of 5-fluoro-N-[1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is NEFPKHYZRYHDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN/c1-12-3-5-14(6-4-12)13(2)20-18-10-7-15-11-16(19)8-9-17(15)18/h3-6,8-9,11,13,18,20H,7,10H2,1-2H3.
What are the key properties of 5-fluoro-N-[1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine?
5-fluoro-N-[1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 269.36 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 115710200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).