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

C16H25NO — CID 79374434

IUPAC1-(3,3-dimethylbutyl)-6-methoxy-2,3-dihydroinden-1-amine
SMILESCOc1ccc2c(c1)C(N)(CCC(C)(C)C)CC2
InChIInChI=1S/C16H25NO/c1-15(2,3)9-10-16(17)8-7-12-5-6-13(18-4)11-14(12)16/h5-6,11H,7-10,17H2,1-4H3
InChIKeyNHUFJCVRJNAIGS-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.62
Rot. Bonds3

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

1-(3,3-dimethylbutyl)-6-methoxy-2,3-dihydroinden-1-amine (PubChem CID 79374434) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)-6-methoxy-2,3-dihydroinden-1-amine.

Molecular Properties

Compound Name1-(3,3-dimethylbutyl)-6-methoxy-2,3-dihydroinden-1-amine
PubChem CID79374434
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(3,3-dimethylbutyl)-6-methoxy-2,3-dihydroinden-1-amine
SMILESCOc1ccc2c(c1)C(N)(CCC(C)(C)C)CC2
InChIInChI=1S/C16H25NO/c1-15(2,3)9-10-16(17)8-7-12-5-6-13(18-4)11-14(12)16/h5-6,11H,7-10,17H2,1-4H3
InChIKeyNHUFJCVRJNAIGS-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,3-dimethylbutyl)-6-methoxy-2,3-dihydroinden-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methoxy-1-(3-methylbutyl)-2,3-dihydroinden-1-amine
CID 79374362
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
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
6-methoxy-1-phenyl-2,3-dihydroinden-1-amine
CID 79374582
1-[(2-fluorophenyl)methyl]-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 79233836
(1'R,3R)-5-methoxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
CID 97048142
7-methoxy-1-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine
CID 79824660

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutyl)-6-methoxy-2,3-dihydroinden-1-amine?
The IUPAC name of 1-(3,3-dimethylbutyl)-6-methoxy-2,3-dihydroinden-1-amine (CID 79374434) is 1-(3,3-dimethylbutyl)-6-methoxy-2,3-dihydroinden-1-amine.
What is the SMILES notation for 1-(3,3-dimethylbutyl)-6-methoxy-2,3-dihydroinden-1-amine?
The canonical SMILES for 1-(3,3-dimethylbutyl)-6-methoxy-2,3-dihydroinden-1-amine is COc1ccc2c(c1)C(N)(CCC(C)(C)C)CC2.
What is the InChIKey of 1-(3,3-dimethylbutyl)-6-methoxy-2,3-dihydroinden-1-amine?
The InChIKey is NHUFJCVRJNAIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-15(2,3)9-10-16(17)8-7-12-5-6-13(18-4)11-14(12)16/h5-6,11H,7-10,17H2,1-4H3.
What are the key properties of 1-(3,3-dimethylbutyl)-6-methoxy-2,3-dihydroinden-1-amine?
1-(3,3-dimethylbutyl)-6-methoxy-2,3-dihydroinden-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutyl)-6-methoxy-2,3-dihydroinden-1-amine is sourced from PubChem (CID 79374434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).