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

C16H25NO — CID 114194480

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-2-methoxy-3,3-dimethylbutan-1-amine
SMILESCOC(C(N)c1ccc2c(c1)CCC2)C(C)(C)C
InChIInChI=1S/C16H25NO/c1-16(2,3)15(18-4)14(17)13-9-8-11-6-5-7-12(11)10-13/h8-10,14-15H,5-7,17H2,1-4H3
InChIKeyAKGGTHOYOUUTLB-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.24
Rot. Bonds3

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

1-(2,3-dihydro-1H-inden-5-yl)-2-methoxy-3,3-dimethylbutan-1-amine (PubChem CID 114194480) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-2-methoxy-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-2-methoxy-3,3-dimethylbutan-1-amine
PubChem CID114194480
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-2-methoxy-3,3-dimethylbutan-1-amine
SMILESCOC(C(N)c1ccc2c(c1)CCC2)C(C)(C)C
InChIInChI=1S/C16H25NO/c1-16(2,3)15(18-4)14(17)13-9-8-11-6-5-7-12(11)10-13/h8-10,14-15H,5-7,17H2,1-4H3
InChIKeyAKGGTHOYOUUTLB-UHFFFAOYSA-N
XLogP3.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[amino(2,3-dihydro-1H-inden-5-yl)methyl]butanoic acid
CID 116945049
2,3-dihydro-1H-inden-5-ylmethanediamine
CID 116939135
2-(2,3-dihydro-1H-inden-5-yl)-2-methoxyethanamine
CID 82111881
3-amino-2,2-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 116937900
2-amino-1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-ol
CID 82285998
3-amino-3-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylpropanenitrile
CID 116940358
2,3-dihydro-1H-inden-5-yl-(3,5-dimethoxyphenyl)methanamine
CID 43115585
6-(1-bromo-2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 63439172
2-methoxy-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 82283128
1-(2,3-dihydro-1H-inden-5-yl)-2-methylpropan-1-ol
CID 61087028
2,3-dihydro-1H-inden-5-yl-(4-propan-2-ylphenyl)methanamine
CID 43115552
2-methoxy-3,3-dimethyl-1-(3-propan-2-yloxyphenyl)butan-1-amine
CID 116724260

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-methoxy-3,3-dimethylbutan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-methoxy-3,3-dimethylbutan-1-amine (CID 114194480) is 1-(2,3-dihydro-1H-inden-5-yl)-2-methoxy-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-2-methoxy-3,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-2-methoxy-3,3-dimethylbutan-1-amine is COC(C(N)c1ccc2c(c1)CCC2)C(C)(C)C.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-2-methoxy-3,3-dimethylbutan-1-amine?
The InChIKey is AKGGTHOYOUUTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-16(2,3)15(18-4)14(17)13-9-8-11-6-5-7-12(11)10-13/h8-10,14-15H,5-7,17H2,1-4H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-2-methoxy-3,3-dimethylbutan-1-amine?
1-(2,3-dihydro-1H-inden-5-yl)-2-methoxy-3,3-dimethylbutan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.24, 3 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)-2-methoxy-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 114194480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).