(2R)-2-[[methyl(propan-2-yl)amino]methyl]-2,3-dihydroinden-1-one

C14H19NO — CID 129365333

IUPAC(2R)-2-[[methyl(propan-2-yl)amino]methyl]-2,3-dihydroinden-1-one
SMILESCC(C)N(C)C[C@H]1Cc2ccccc2C1=O
InChIInChI=1S/C14H19NO/c1-10(2)15(3)9-12-8-11-6-4-5-7-13(11)14(12)16/h4-7,10,12H,8-9H2,1-3H3/t12-/m1/s1
InChIKeyDQJMGIINAURTMG-GFCCVEGCSA-N
MW217.31 g/mol
LogP2.38
Rot. Bonds3

About (2R)-2-[[methyl(propan-2-yl)amino]methyl]-2,3-dihydroinden-1-one

(2R)-2-[[methyl(propan-2-yl)amino]methyl]-2,3-dihydroinden-1-one (PubChem CID 129365333) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (2R)-2-[[methyl(propan-2-yl)amino]methyl]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name(2R)-2-[[methyl(propan-2-yl)amino]methyl]-2,3-dihydroinden-1-one
PubChem CID129365333
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(2R)-2-[[methyl(propan-2-yl)amino]methyl]-2,3-dihydroinden-1-one
SMILESCC(C)N(C)C[C@H]1Cc2ccccc2C1=O
InChIInChI=1S/C14H19NO/c1-10(2)15(3)9-12-8-11-6-4-5-7-13(11)14(12)16/h4-7,10,12H,8-9H2,1-3H3/t12-/m1/s1
InChIKeyDQJMGIINAURTMG-GFCCVEGCSA-N
XLogP2.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[[(2R)-3-oxo-1,2-dihydroinden-2-yl]methyl]-2,3-dihydroinden-1-one
CID 910021
2-(methoxymethyl)-2,3-dihydroinden-1-one
CID 71409050
2-(2-fluoroethyl)-2,3-dihydroinden-1-one
CID 80695760
(2S)-2-methyl-2,3-dihydroinden-1-one
CID 6994407
(2S)-2-but-2-enyl-2,3-dihydroinden-1-one
CID 67713890
2-[(4-ethylphenyl)methyl]-2,3-dihydroinden-1-one
CID 15544001
2-[(4-methylphenyl)methyl]-2,3-dihydroinden-1-one
CID 15544000
2-[2-(trimethylsilylmethyl)prop-2-enyl]-2,3-dihydroinden-1-one
CID 15316015
2-[(4-tert-butylphenyl)methyl]-2,3-dihydroinden-1-one
CID 63399290
(2R)-2-(2-methylpropyl)-3,4-dihydro-2H-naphthalen-1-one
CID 14921451
2-[2,2-bis(diethoxyphosphoryl)ethyl]-2,3-dihydroinden-1-one
CID 10477908
2-(2-methyl-2-nitropropyl)-2,3-dihydroinden-1-one
CID 12733660

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[methyl(propan-2-yl)amino]methyl]-2,3-dihydroinden-1-one?
The IUPAC name of (2R)-2-[[methyl(propan-2-yl)amino]methyl]-2,3-dihydroinden-1-one (CID 129365333) is (2R)-2-[[methyl(propan-2-yl)amino]methyl]-2,3-dihydroinden-1-one.
What is the SMILES notation for (2R)-2-[[methyl(propan-2-yl)amino]methyl]-2,3-dihydroinden-1-one?
The canonical SMILES for (2R)-2-[[methyl(propan-2-yl)amino]methyl]-2,3-dihydroinden-1-one is CC(C)N(C)C[C@H]1Cc2ccccc2C1=O.
What is the InChIKey of (2R)-2-[[methyl(propan-2-yl)amino]methyl]-2,3-dihydroinden-1-one?
The InChIKey is DQJMGIINAURTMG-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19NO/c1-10(2)15(3)9-12-8-11-6-4-5-7-13(11)14(12)16/h4-7,10,12H,8-9H2,1-3H3/t12-/m1/s1.
What are the key properties of (2R)-2-[[methyl(propan-2-yl)amino]methyl]-2,3-dihydroinden-1-one?
(2R)-2-[[methyl(propan-2-yl)amino]methyl]-2,3-dihydroinden-1-one has a molecular weight of 217.31 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[methyl(propan-2-yl)amino]methyl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 129365333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).