2-(3,3-dimethylbutoxy)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine

C17H27NO2 — CID 66232008

IUPAC2-(3,3-dimethylbutoxy)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)CCC(OCCC(C)(C)C)C2N
InChIInChI=1S/C17H27NO2/c1-17(2,3)9-10-20-15-8-5-12-11-13(19-4)6-7-14(12)16(15)18/h6-7,11,15-16H,5,8-10,18H2,1-4H3
InChIKeyCQFKVDRLKSMEAK-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.46
Rot. Bonds4

About 2-(3,3-dimethylbutoxy)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine

2-(3,3-dimethylbutoxy)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 66232008) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(3,3-dimethylbutoxy)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name2-(3,3-dimethylbutoxy)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID66232008
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-(3,3-dimethylbutoxy)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)CCC(OCCC(C)(C)C)C2N
InChIInChI=1S/C17H27NO2/c1-17(2,3)9-10-20-15-8-5-12-11-13(19-4)6-7-14(12)16(15)18/h6-7,11,15-16H,5,8-10,18H2,1-4H3
InChIKeyCQFKVDRLKSMEAK-UHFFFAOYSA-N
XLogP3.46
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3,3-dimethylbutoxy)-6-methoxy-1,2,3,4-tetrahydronaphthalen-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

2-(cyclopropylmethoxy)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43211668
7-methoxy-2-(4-methylpentoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79247909
(1R,2S)-2,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 66798065
(1S,2R)-1-benzyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10611903
7-methoxy-N-methyl-2-(3,3,3-trifluoropropoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 82960676
7-methoxy-2-(oxolan-3-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79247755
2-(4-fluorophenoxy)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79235063
2-(azepan-1-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43184261
2-butan-2-ylsulfanyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64612568
2-(2-butoxyethoxy)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79374328
6-methoxy-N-(4-methoxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 104628924
6-methoxy-2-N-propan-2-yl-2-N-propyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 43269499

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutoxy)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 2-(3,3-dimethylbutoxy)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine (CID 66232008) is 2-(3,3-dimethylbutoxy)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 2-(3,3-dimethylbutoxy)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 2-(3,3-dimethylbutoxy)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine is COc1ccc2c(c1)CCC(OCCC(C)(C)C)C2N.
What is the InChIKey of 2-(3,3-dimethylbutoxy)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is CQFKVDRLKSMEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-17(2,3)9-10-20-15-8-5-12-11-13(19-4)6-7-14(12)16(15)18/h6-7,11,15-16H,5,8-10,18H2,1-4H3.
What are the key properties of 2-(3,3-dimethylbutoxy)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
2-(3,3-dimethylbutoxy)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutoxy)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 66232008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).