4,6-dichloro-1-[methyl(3-methylbutyl)amino]-2,3-dihydro-1H-inden-2-ol

C15H21Cl2NO — CID 112841472

IUPAC4,6-dichloro-1-[methyl(3-methylbutyl)amino]-2,3-dihydro-1H-inden-2-ol
SMILESCC(C)CCN(C)C1c2cc(Cl)cc(Cl)c2CC1O
InChIInChI=1S/C15H21Cl2NO/c1-9(2)4-5-18(3)15-12-6-10(16)7-13(17)11(12)8-14(15)19/h6-7,9,14-15,19H,4-5,8H2,1-3H3
InChIKeyJUWILEBEZBLANI-UHFFFAOYSA-N
MW302.25 g/mol
LogP3.93
Rot. Bonds4

About 4,6-dichloro-1-[methyl(3-methylbutyl)amino]-2,3-dihydro-1H-inden-2-ol

4,6-dichloro-1-[methyl(3-methylbutyl)amino]-2,3-dihydro-1H-inden-2-ol (PubChem CID 112841472) has the molecular formula C15H21Cl2NO and a molecular weight of 302.25 g/mol. Its IUPAC name is 4,6-dichloro-1-[methyl(3-methylbutyl)amino]-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name4,6-dichloro-1-[methyl(3-methylbutyl)amino]-2,3-dihydro-1H-inden-2-ol
PubChem CID112841472
Molecular FormulaC15H21Cl2NO
Molecular Weight302.25 g/mol
Exact Mass301.10
IUPAC Name4,6-dichloro-1-[methyl(3-methylbutyl)amino]-2,3-dihydro-1H-inden-2-ol
SMILESCC(C)CCN(C)C1c2cc(Cl)cc(Cl)c2CC1O
InChIInChI=1S/C15H21Cl2NO/c1-9(2)4-5-18(3)15-12-6-10(16)7-13(17)11(12)8-14(15)19/h6-7,9,14-15,19H,4-5,8H2,1-3H3
InChIKeyJUWILEBEZBLANI-UHFFFAOYSA-N
XLogP3.93
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(1S,2R)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methylamino]butanenitrile
CID 124802998
(1R,2S)-4,6-dichloro-1-[2-(1,3-dioxolan-2-yl)ethyl-methylamino]-2,3-dihydro-1H-inden-2-ol
CID 99604371
2-[[(1R,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methylamino]acetonitrile
CID 94444869
N-[3-[[(1S,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methylamino]propyl]methanesulfonamide
CID 95151522
4,6-dichloro-1-[(3,4-difluorophenyl)methyl-methylamino]-2,3-dihydro-1H-inden-2-ol
CID 112841448
N-[1-(4-chlorophenyl)ethyl]-2-[(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]acetamide
CID 112841445
(1R,2S)-4,6-dichloro-1-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]-2,3-dihydro-1H-inden-2-ol
CID 94444875
(1S,2S)-4,6-dichloro-2-hydroxy-1-[methyl(sulfamoyl)amino]-2,3-dihydro-1H-indene
CID 99842404
4,6-dichloro-1-[methyl(piperidin-3-ylmethyl)amino]-2,3-dihydro-1H-inden-2-ol
CID 119930532
2-[[(1R,2R)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-prop-2-ynylacetamide
CID 124732456
3-[[[(1R,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methylamino]methyl]-2H-isoquinolin-1-one
CID 99699512
(1S,2R)-4,6-dichloro-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-2,3-dihydro-1H-inden-2-ol
CID 124850604

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-1-[methyl(3-methylbutyl)amino]-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of 4,6-dichloro-1-[methyl(3-methylbutyl)amino]-2,3-dihydro-1H-inden-2-ol (CID 112841472) is 4,6-dichloro-1-[methyl(3-methylbutyl)amino]-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for 4,6-dichloro-1-[methyl(3-methylbutyl)amino]-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for 4,6-dichloro-1-[methyl(3-methylbutyl)amino]-2,3-dihydro-1H-inden-2-ol is CC(C)CCN(C)C1c2cc(Cl)cc(Cl)c2CC1O.
What is the InChIKey of 4,6-dichloro-1-[methyl(3-methylbutyl)amino]-2,3-dihydro-1H-inden-2-ol?
The InChIKey is JUWILEBEZBLANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO/c1-9(2)4-5-18(3)15-12-6-10(16)7-13(17)11(12)8-14(15)19/h6-7,9,14-15,19H,4-5,8H2,1-3H3.
What are the key properties of 4,6-dichloro-1-[methyl(3-methylbutyl)amino]-2,3-dihydro-1H-inden-2-ol?
4,6-dichloro-1-[methyl(3-methylbutyl)amino]-2,3-dihydro-1H-inden-2-ol has a molecular weight of 302.25 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-1-[methyl(3-methylbutyl)amino]-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 112841472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).