4-fluoro-N-(3-methyl-2-propan-2-ylbutyl)-2,3-dihydro-1H-inden-1-amine

C17H26FN — CID 102904112

IUPAC4-fluoro-N-(3-methyl-2-propan-2-ylbutyl)-2,3-dihydro-1H-inden-1-amine
SMILESCC(C)C(CNC1CCc2c(F)cccc21)C(C)C
InChIInChI=1S/C17H26FN/c1-11(2)15(12(3)4)10-19-17-9-8-13-14(17)6-5-7-16(13)18/h5-7,11-12,15,17,19H,8-10H2,1-4H3
InChIKeyMBSQMVNEFPPALF-UHFFFAOYSA-N
MW263.40 g/mol
LogP4.33
Rot. Bonds5

About 4-fluoro-N-(3-methyl-2-propan-2-ylbutyl)-2,3-dihydro-1H-inden-1-amine

4-fluoro-N-(3-methyl-2-propan-2-ylbutyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 102904112) has the molecular formula C17H26FN and a molecular weight of 263.40 g/mol. Its IUPAC name is 4-fluoro-N-(3-methyl-2-propan-2-ylbutyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-fluoro-N-(3-methyl-2-propan-2-ylbutyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID102904112
Molecular FormulaC17H26FN
Molecular Weight263.40 g/mol
Exact Mass263.20
IUPAC Name4-fluoro-N-(3-methyl-2-propan-2-ylbutyl)-2,3-dihydro-1H-inden-1-amine
SMILESCC(C)C(CNC1CCc2c(F)cccc21)C(C)C
InChIInChI=1S/C17H26FN/c1-11(2)15(12(3)4)10-19-17-9-8-13-14(17)6-5-7-16(13)18/h5-7,11-12,15,17,19H,8-10H2,1-4H3
InChIKeyMBSQMVNEFPPALF-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-methylbutan-1-ol
CID 81343552
2-N-cyclopropyl-1-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-N-methylpropane-1,2-diamine
CID 103781629
1-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 81296468
1,1,1-trifluoro-3-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
CID 113260457
4-fluoro-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 61383392
1-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-methoxypropan-2-ol
CID 81338280
(2R)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
CID 114987002
1-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pentan-3-ol
CID 113262785
N-[(4-ethylcyclohexyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 83065498
4-fluoro-N-(3-methylpentan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 79492992
4-fluoro-N-(1-methoxy-3-methylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 79490334
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-(3-methyl-2-propan-2-ylbutyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-fluoro-N-(3-methyl-2-propan-2-ylbutyl)-2,3-dihydro-1H-inden-1-amine (CID 102904112) is 4-fluoro-N-(3-methyl-2-propan-2-ylbutyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-fluoro-N-(3-methyl-2-propan-2-ylbutyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-fluoro-N-(3-methyl-2-propan-2-ylbutyl)-2,3-dihydro-1H-inden-1-amine is CC(C)C(CNC1CCc2c(F)cccc21)C(C)C.
What is the InChIKey of 4-fluoro-N-(3-methyl-2-propan-2-ylbutyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is MBSQMVNEFPPALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN/c1-11(2)15(12(3)4)10-19-17-9-8-13-14(17)6-5-7-16(13)18/h5-7,11-12,15,17,19H,8-10H2,1-4H3.
What are the key properties of 4-fluoro-N-(3-methyl-2-propan-2-ylbutyl)-2,3-dihydro-1H-inden-1-amine?
4-fluoro-N-(3-methyl-2-propan-2-ylbutyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 263.40 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-methyl-2-propan-2-ylbutyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 102904112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).