1-(2,3-dihydro-1H-inden-5-yl)-3-methoxy-N-methylbutan-1-amine

C15H23NO — CID 114194469

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-3-methoxy-N-methylbutan-1-amine
SMILESCNC(CC(C)OC)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H23NO/c1-11(17-3)9-15(16-2)14-8-7-12-5-4-6-13(12)10-14/h7-8,10-11,15-16H,4-6,9H2,1-3H3
InChIKeyPWRGJYYMRFEURX-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.86
Rot. Bonds5

About 1-(2,3-dihydro-1H-inden-5-yl)-3-methoxy-N-methylbutan-1-amine

1-(2,3-dihydro-1H-inden-5-yl)-3-methoxy-N-methylbutan-1-amine (PubChem CID 114194469) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-3-methoxy-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-3-methoxy-N-methylbutan-1-amine
PubChem CID114194469
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-3-methoxy-N-methylbutan-1-amine
SMILESCNC(CC(C)OC)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H23NO/c1-11(17-3)9-15(16-2)14-8-7-12-5-4-6-13(12)10-14/h7-8,10-11,15-16H,4-6,9H2,1-3H3
InChIKeyPWRGJYYMRFEURX-UHFFFAOYSA-N
XLogP2.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(methylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-ol
CID 116952908
2-cyclobutyl-1-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 115863683
4-(2,3-dihydro-1H-inden-5-yl)-4-(methylamino)butanenitrile
CID 116955267
methyl 4-(methylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate
CID 116955498
1-bromo-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine
CID 116961881
N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine
CID 116949253
1-(2,3-dihydro-1H-inden-5-yl)-N,2-dimethylbutane-1,4-diamine
CID 116949561
1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107063923
1-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 63507191
N,N'-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanediamine
CID 116954289
1-(1,3-dihydro-2-benzofuran-5-yl)-N,3-dimethylbutan-1-amine
CID 63020410
1-(2,3-dihydro-1H-inden-5-yl)-4-methoxy-3-methylbutan-1-ol
CID 114195093

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-methoxy-N-methylbutan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-methoxy-N-methylbutan-1-amine (CID 114194469) is 1-(2,3-dihydro-1H-inden-5-yl)-3-methoxy-N-methylbutan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-3-methoxy-N-methylbutan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-3-methoxy-N-methylbutan-1-amine is CNC(CC(C)OC)c1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-3-methoxy-N-methylbutan-1-amine?
The InChIKey is PWRGJYYMRFEURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11(17-3)9-15(16-2)14-8-7-12-5-4-6-13(12)10-14/h7-8,10-11,15-16H,4-6,9H2,1-3H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-3-methoxy-N-methylbutan-1-amine?
1-(2,3-dihydro-1H-inden-5-yl)-3-methoxy-N-methylbutan-1-amine has a molecular weight of 233.36 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-3-methoxy-N-methylbutan-1-amine is sourced from PubChem (CID 114194469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).