N-(methoxymethyl)-N-methyl-2,3-dihydro-1H-inden-5-amine

C12H17NO — CID 115258329

IUPACN-(methoxymethyl)-N-methyl-2,3-dihydro-1H-inden-5-amine
SMILESCOCN(C)c1ccc2c(c1)CCC2
InChIInChI=1S/C12H17NO/c1-13(9-14-2)12-7-6-10-4-3-5-11(10)8-12/h6-8H,3-5,9H2,1-2H3
InChIKeyTXZAUWNXUOOTSR-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.22
Rot. Bonds3

About N-(methoxymethyl)-N-methyl-2,3-dihydro-1H-inden-5-amine

N-(methoxymethyl)-N-methyl-2,3-dihydro-1H-inden-5-amine (PubChem CID 115258329) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-(methoxymethyl)-N-methyl-2,3-dihydro-1H-inden-5-amine.

Molecular Properties

Compound NameN-(methoxymethyl)-N-methyl-2,3-dihydro-1H-inden-5-amine
PubChem CID115258329
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-(methoxymethyl)-N-methyl-2,3-dihydro-1H-inden-5-amine
SMILESCOCN(C)c1ccc2c(c1)CCC2
InChIInChI=1S/C12H17NO/c1-13(9-14-2)12-7-6-10-4-3-5-11(10)8-12/h6-8H,3-5,9H2,1-2H3
InChIKeyTXZAUWNXUOOTSR-UHFFFAOYSA-N
XLogP2.22
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(methoxymethyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 115258314
N-(3-chloropropyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 115215476
3-[2,3-dihydro-1H-inden-5-yl(methyl)amino]propane-1-thiol
CID 115224698
methyl 4-[2,3-dihydro-1H-inden-5-yl(methyl)amino]butanoate
CID 115233351
1-N,1-N,4-N-trimethyl-4-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzene-1,4-diamine
CID 144987164
3-[2,3-dihydro-1H-inden-5-yl(methyl)amino]propanenitrile
CID 115230731
N-(azetidin-3-ylmethyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 115207340
N-ethyl-N'-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)ethane-1,2-diamine
CID 115205672
N-[4-(cyclopropylmethyl)phenyl]-N-methyl-2,3-dihydro-1H-inden-5-amine
CID 155314010
3-amino-4-[methyl(5,6,7,8-tetrahydronaphthalen-2-yl)amino]butanoic acid
CID 115241543
N-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]-2,3-dihydro-1H-inden-5-amine
CID 115244605
2,2-dimethyl-3-[methyl(5,6,7,8-tetrahydronaphthalen-2-yl)amino]propanoic acid
CID 115136462

Frequently Asked Questions

What is the IUPAC name of N-(methoxymethyl)-N-methyl-2,3-dihydro-1H-inden-5-amine?
The IUPAC name of N-(methoxymethyl)-N-methyl-2,3-dihydro-1H-inden-5-amine (CID 115258329) is N-(methoxymethyl)-N-methyl-2,3-dihydro-1H-inden-5-amine.
What is the SMILES notation for N-(methoxymethyl)-N-methyl-2,3-dihydro-1H-inden-5-amine?
The canonical SMILES for N-(methoxymethyl)-N-methyl-2,3-dihydro-1H-inden-5-amine is COCN(C)c1ccc2c(c1)CCC2.
What is the InChIKey of N-(methoxymethyl)-N-methyl-2,3-dihydro-1H-inden-5-amine?
The InChIKey is TXZAUWNXUOOTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-13(9-14-2)12-7-6-10-4-3-5-11(10)8-12/h6-8H,3-5,9H2,1-2H3.
What are the key properties of N-(methoxymethyl)-N-methyl-2,3-dihydro-1H-inden-5-amine?
N-(methoxymethyl)-N-methyl-2,3-dihydro-1H-inden-5-amine has a molecular weight of 191.27 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methoxymethyl)-N-methyl-2,3-dihydro-1H-inden-5-amine is sourced from PubChem (CID 115258329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).