1-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-4,4-dimethylpentan-2-ol

C16H24FNO — CID 103784366

IUPAC1-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(O)CNC1CCc2cc(F)ccc21
InChIInChI=1S/C16H24FNO/c1-16(2,3)9-13(19)10-18-15-7-4-11-8-12(17)5-6-14(11)15/h5-6,8,13,15,18-19H,4,7,9-10H2,1-3H3
InChIKeyZMJCHRIKRRJTRJ-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.20
Rot. Bonds4

About 1-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-4,4-dimethylpentan-2-ol

1-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-4,4-dimethylpentan-2-ol (PubChem CID 103784366) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 1-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-4,4-dimethylpentan-2-ol
PubChem CID103784366
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name1-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(O)CNC1CCc2cc(F)ccc21
InChIInChI=1S/C16H24FNO/c1-16(2,3)9-13(19)10-18-15-7-4-11-8-12(17)5-6-14(11)15/h5-6,8,13,15,18-19H,4,7,9-10H2,1-3H3
InChIKeyZMJCHRIKRRJTRJ-UHFFFAOYSA-N
XLogP3.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-4,4-dimethylpentan-2-ol with MolForge

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Related Compounds

1-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 115708917
(2S)-1-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
CID 103906577
2-ethyl-2-[[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]methyl]butan-1-ol
CID 103904666
5-fluoro-N-(4-methoxy-2,2-dimethylbutyl)-2,3-dihydro-1H-inden-1-amine
CID 104628801
5-fluoro-N-(2-methyl-2-phenylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 116530970
5-fluoro-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-inden-1-amine
CID 115706133
5-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]-2,3-dihydro-1H-inden-1-amine
CID 104584945
5-fluoro-N-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1H-inden-1-amine
CID 116531106
5-fluoro-N-octyl-2,3-dihydro-1H-inden-1-amine
CID 116531093
5-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pentan-1-ol
CID 107303158
methyl 3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoate
CID 116530837
N-(cyclohexylmethyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116530842

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-4,4-dimethylpentan-2-ol (CID 103784366) is 1-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-4,4-dimethylpentan-2-ol is CC(C)(C)CC(O)CNC1CCc2cc(F)ccc21.
What is the InChIKey of 1-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-4,4-dimethylpentan-2-ol?
The InChIKey is ZMJCHRIKRRJTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-16(2,3)9-13(19)10-18-15-7-4-11-8-12(17)5-6-14(11)15/h5-6,8,13,15,18-19H,4,7,9-10H2,1-3H3.
What are the key properties of 1-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-4,4-dimethylpentan-2-ol?
1-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-4,4-dimethylpentan-2-ol has a molecular weight of 265.37 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 103784366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).