6-methoxy-1-(3-methylbutyl)-2,3-dihydroinden-1-amine

C15H23NO — CID 79374362

IUPAC6-methoxy-1-(3-methylbutyl)-2,3-dihydroinden-1-amine
SMILESCOc1ccc2c(c1)C(N)(CCC(C)C)CC2
InChIInChI=1S/C15H23NO/c1-11(2)6-8-15(16)9-7-12-4-5-13(17-3)10-14(12)15/h4-5,10-11H,6-9,16H2,1-3H3
InChIKeyKXZGZVBOBDMHPD-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.23
Rot. Bonds4

About 6-methoxy-1-(3-methylbutyl)-2,3-dihydroinden-1-amine

6-methoxy-1-(3-methylbutyl)-2,3-dihydroinden-1-amine (PubChem CID 79374362) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 6-methoxy-1-(3-methylbutyl)-2,3-dihydroinden-1-amine.

Molecular Properties

Compound Name6-methoxy-1-(3-methylbutyl)-2,3-dihydroinden-1-amine
PubChem CID79374362
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name6-methoxy-1-(3-methylbutyl)-2,3-dihydroinden-1-amine
SMILESCOc1ccc2c(c1)C(N)(CCC(C)C)CC2
InChIInChI=1S/C15H23NO/c1-11(2)6-8-15(16)9-7-12-4-5-13(17-3)10-14(12)15/h4-5,10-11H,6-9,16H2,1-3H3
InChIKeyKXZGZVBOBDMHPD-UHFFFAOYSA-N
XLogP3.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,3-dimethylbutyl)-6-methoxy-2,3-dihydroinden-1-amine
CID 79374434
1-(aminomethyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 79248291
1-ethyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 79240760
7-methoxy-2-(3-methylbutyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 115510904
6-methoxy-1-[2-(1-methylpyrazol-4-yl)ethyl]-2,3-dihydroinden-1-amine
CID 103007158
7-methoxy-1-(3-methylsulfonylpropyl)-3,4-dihydro-2H-naphthalen-1-amine
CID 79241254
1-[(3-bromo-5-fluorophenyl)methyl]-6-methoxy-2,3-dihydroinden-1-amine
CID 79699262
2-(1-amino-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)ethanol
CID 65239684
7-methoxy-1-[(2-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine
CID 79233838
(3S)-5-methoxyspiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-one
CID 67359240
6-methoxy-1-phenyl-2,3-dihydroinden-1-amine
CID 79374582
6-methoxy-1-[(propan-2-ylamino)methyl]-2,3-dihydroinden-1-ol
CID 79368955

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-(3-methylbutyl)-2,3-dihydroinden-1-amine?
The IUPAC name of 6-methoxy-1-(3-methylbutyl)-2,3-dihydroinden-1-amine (CID 79374362) is 6-methoxy-1-(3-methylbutyl)-2,3-dihydroinden-1-amine.
What is the SMILES notation for 6-methoxy-1-(3-methylbutyl)-2,3-dihydroinden-1-amine?
The canonical SMILES for 6-methoxy-1-(3-methylbutyl)-2,3-dihydroinden-1-amine is COc1ccc2c(c1)C(N)(CCC(C)C)CC2.
What is the InChIKey of 6-methoxy-1-(3-methylbutyl)-2,3-dihydroinden-1-amine?
The InChIKey is KXZGZVBOBDMHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11(2)6-8-15(16)9-7-12-4-5-13(17-3)10-14(12)15/h4-5,10-11H,6-9,16H2,1-3H3.
What are the key properties of 6-methoxy-1-(3-methylbutyl)-2,3-dihydroinden-1-amine?
6-methoxy-1-(3-methylbutyl)-2,3-dihydroinden-1-amine has a molecular weight of 233.36 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-(3-methylbutyl)-2,3-dihydroinden-1-amine is sourced from PubChem (CID 79374362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).