6-methoxy-N-(5-methylhexyl)-1,2,3,4-tetrahydronaphthalen-1-amine

C18H29NO — CID 115324453

IUPAC6-methoxy-N-(5-methylhexyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)CCCC2NCCCCC(C)C
InChIInChI=1S/C18H29NO/c1-14(2)7-4-5-12-19-18-9-6-8-15-13-16(20-3)10-11-17(15)18/h10-11,13-14,18-19H,4-9,12H2,1-3H3
InChIKeyFWSVOJZNTDEHRC-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.49
Rot. Bonds7

About 6-methoxy-N-(5-methylhexyl)-1,2,3,4-tetrahydronaphthalen-1-amine

6-methoxy-N-(5-methylhexyl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 115324453) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 6-methoxy-N-(5-methylhexyl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name6-methoxy-N-(5-methylhexyl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID115324453
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name6-methoxy-N-(5-methylhexyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)CCCC2NCCCCC(C)C
InChIInChI=1S/C18H29NO/c1-14(2)7-4-5-12-19-18-9-6-8-15-13-16(20-3)10-11-17(15)18/h10-11,13-14,18-19H,4-9,12H2,1-3H3
InChIKeyFWSVOJZNTDEHRC-UHFFFAOYSA-N
XLogP4.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.49
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

3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 43206577
2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol
CID 3016750
methyl 4-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]butanoate
CID 60782387
3-[[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propanenitrile
CID 28728583
1-[4-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]butyl]pyridin-2-one
CID 91644766
6-methoxy-N-(2-methyl-3-methylsulfanylpropyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63981083
N-butan-2-yl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43190307
6-methoxy-N-(2-methoxy-2-methylpropyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115728733
1-cyclopropyl-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol
CID 55172738
3-[[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]pentan-3-ol
CID 65105549
6-methoxy-N-(2-thiomorpholin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 103783282
2-[[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-4-methylpentanoic acid
CID 122128129

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(5-methylhexyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 6-methoxy-N-(5-methylhexyl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 115324453) is 6-methoxy-N-(5-methylhexyl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 6-methoxy-N-(5-methylhexyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 6-methoxy-N-(5-methylhexyl)-1,2,3,4-tetrahydronaphthalen-1-amine is COc1ccc2c(c1)CCCC2NCCCCC(C)C.
What is the InChIKey of 6-methoxy-N-(5-methylhexyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is FWSVOJZNTDEHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-14(2)7-4-5-12-19-18-9-6-8-15-13-16(20-3)10-11-17(15)18/h10-11,13-14,18-19H,4-9,12H2,1-3H3.
What are the key properties of 6-methoxy-N-(5-methylhexyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
6-methoxy-N-(5-methylhexyl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(5-methylhexyl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 115324453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).