7-methoxy-2-(4-methylpentoxy)-1,2,3,4-tetrahydronaphthalen-1-amine

C17H27NO2 — CID 79247909

IUPAC7-methoxy-2-(4-methylpentoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)C(N)C(OCCCC(C)C)CC2
InChIInChI=1S/C17H27NO2/c1-12(2)5-4-10-20-16-9-7-13-6-8-14(19-3)11-15(13)17(16)18/h6,8,11-12,16-17H,4-5,7,9-10,18H2,1-3H3
InChIKeyDXJBZEHCKVORDW-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.46
Rot. Bonds6

About 7-methoxy-2-(4-methylpentoxy)-1,2,3,4-tetrahydronaphthalen-1-amine

7-methoxy-2-(4-methylpentoxy)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 79247909) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 7-methoxy-2-(4-methylpentoxy)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name7-methoxy-2-(4-methylpentoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID79247909
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name7-methoxy-2-(4-methylpentoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)C(N)C(OCCCC(C)C)CC2
InChIInChI=1S/C17H27NO2/c1-12(2)5-4-10-20-16-9-7-13-6-8-14(19-3)11-15(13)17(16)18/h6,8,11-12,16-17H,4-5,7,9-10,18H2,1-3H3
InChIKeyDXJBZEHCKVORDW-UHFFFAOYSA-N
XLogP3.46
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-methoxy-2-(4-methylpentoxy)-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

(1R,2S)-2,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 66798065
7-methoxy-2-(2-methylpropylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79247767
2-N-ethyl-7-methoxy-2-N-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 79248139
2-(3,3-dimethylbutoxy)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 66232008
2-(4-fluorophenoxy)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79235063
2-(2-butoxyethoxy)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79374328
7-methoxy-2-(oxolan-3-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79247755
2-(cyclopropylmethoxy)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43211668
N-ethyl-7-methoxy-2-(3-methoxypropoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79235470
7-methoxy-2-(3-methylbutan-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107763288
6-methoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 18627821
(1R,2S)-1-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 118023139

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-(4-methylpentoxy)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 7-methoxy-2-(4-methylpentoxy)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 79247909) is 7-methoxy-2-(4-methylpentoxy)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 7-methoxy-2-(4-methylpentoxy)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 7-methoxy-2-(4-methylpentoxy)-1,2,3,4-tetrahydronaphthalen-1-amine is COc1ccc2c(c1)C(N)C(OCCCC(C)C)CC2.
What is the InChIKey of 7-methoxy-2-(4-methylpentoxy)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is DXJBZEHCKVORDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-12(2)5-4-10-20-16-9-7-13-6-8-14(19-3)11-15(13)17(16)18/h6,8,11-12,16-17H,4-5,7,9-10,18H2,1-3H3.
What are the key properties of 7-methoxy-2-(4-methylpentoxy)-1,2,3,4-tetrahydronaphthalen-1-amine?
7-methoxy-2-(4-methylpentoxy)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-(4-methylpentoxy)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 79247909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).