6-hexoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

C17H27NO — CID 55194028

IUPAC6-hexoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCCCCOc1ccc2c(c1)CCCC2NC
InChIInChI=1S/C17H27NO/c1-3-4-5-6-12-19-15-10-11-16-14(13-15)8-7-9-17(16)18-2/h10-11,13,17-18H,3-9,12H2,1-2H3
InChIKeyMWTCRGPDXDDUNU-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.24
Rot. Bonds7

About 6-hexoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

6-hexoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 55194028) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 6-hexoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name6-hexoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID55194028
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name6-hexoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCCCCOc1ccc2c(c1)CCCC2NC
InChIInChI=1S/C17H27NO/c1-3-4-5-6-12-19-15-10-11-16-14(13-15)8-7-9-17(16)18-2/h10-11,13,17-18H,3-9,12H2,1-2H3
InChIKeyMWTCRGPDXDDUNU-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pentan-1-ol
CID 107683313
6-(3-methoxy-3-methylbutoxy)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 103032754
6-(4-methoxybutoxy)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 104647002
N-methyl-6-pentan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 114013297
1-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]cyclopentan-1-ol
CID 65210920
5-octoxy-2,3-dihydro-1H-inden-1-ol
CID 107684624
N-methyl-6-[(6-methyl-2-pyridinyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79262644
N-methyl-6-[2-(1-methylimidazol-2-yl)ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 114527195
6-(2,3-dichloroprop-2-enoxy)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79167134
6-[(2-bromophenyl)methoxy]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63499231
ethyl 2-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]butanoate
CID 64670120
N-methyl-5-(3,3,3-trifluoropropoxy)-2,3-dihydro-1H-inden-1-amine
CID 107683376

Frequently Asked Questions

What is the IUPAC name of 6-hexoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 6-hexoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 55194028) is 6-hexoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 6-hexoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 6-hexoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is CCCCCCOc1ccc2c(c1)CCCC2NC.
What is the InChIKey of 6-hexoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is MWTCRGPDXDDUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-4-5-6-12-19-15-10-11-16-14(13-15)8-7-9-17(16)18-2/h10-11,13,17-18H,3-9,12H2,1-2H3.
What are the key properties of 6-hexoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
6-hexoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hexoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 55194028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).