4-methoxy-2-methyl-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-1-amine

C13H17NO — CID 81422141

IUPAC4-methoxy-2-methyl-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-1-amine
SMILESCOc1ccc2c(c1)C1C(C)C(N)C1C2
InChIInChI=1S/C13H17NO/c1-7-12-10-6-9(15-2)4-3-8(10)5-11(12)13(7)14/h3-4,6-7,11-13H,5,14H2,1-2H3
InChIKeyNSCFTUWLZBFITO-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.93
Rot. Bonds1

About 4-methoxy-2-methyl-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-1-amine

4-methoxy-2-methyl-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-1-amine (PubChem CID 81422141) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 4-methoxy-2-methyl-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-1-amine.

Molecular Properties

Compound Name4-methoxy-2-methyl-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-1-amine
PubChem CID81422141
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name4-methoxy-2-methyl-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-1-amine
SMILESCOc1ccc2c(c1)C1C(C)C(N)C1C2
InChIInChI=1S/C13H17NO/c1-7-12-10-6-9(15-2)4-3-8(10)5-11(12)13(7)14/h3-4,6-7,11-13H,5,14H2,1-2H3
InChIKeyNSCFTUWLZBFITO-UHFFFAOYSA-N
XLogP1.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-7-methoxy-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene
CID 79725548
1-bromo-7-methoxy-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene
CID 79726232
2-ethylsulfonyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79374666
6-methoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 18627821
7-methoxy-3-methyl-1,3,4,5-tetrahydro-2-benzothiepin-5-amine
CID 82887329
4-methoxy-2,2a,7,7a-tetrahydrocyclobuta[a]inden-1-one
CID 81421647
8-(2,4-dimethoxyphenyl)-3-methoxybicyclo[4.2.0]octa-1(6),2,4-triene
CID 54445831
6-methoxy-2-N-methyl-2-N-(4-methylcyclohexyl)-2,3-dihydro-1H-indene-1,2-diamine
CID 79370662
2-N-(2,2-dimethylpropyl)-6-methoxy-2-N-methyl-2,3-dihydro-1H-indene-1,2-diamine
CID 79374321
2-ethylsulfinyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79368756
(7S)-4-methoxybicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxylate
CID 7055849
(4S)-6-methoxy-3,4-dihydro-1H-isothiochromen-4-amine
CID 82886827

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-1-amine?
The IUPAC name of 4-methoxy-2-methyl-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-1-amine (CID 81422141) is 4-methoxy-2-methyl-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-1-amine.
What is the SMILES notation for 4-methoxy-2-methyl-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-1-amine?
The canonical SMILES for 4-methoxy-2-methyl-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-1-amine is COc1ccc2c(c1)C1C(C)C(N)C1C2.
What is the InChIKey of 4-methoxy-2-methyl-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-1-amine?
The InChIKey is NSCFTUWLZBFITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-7-12-10-6-9(15-2)4-3-8(10)5-11(12)13(7)14/h3-4,6-7,11-13H,5,14H2,1-2H3.
What are the key properties of 4-methoxy-2-methyl-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-1-amine?
4-methoxy-2-methyl-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-1-amine has a molecular weight of 203.28 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-1-amine is sourced from PubChem (CID 81422141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).