6-methoxy-N-octyl-1,2,3,4-tetrahydronaphthalen-2-amine

C19H31NO — CID 23634994

IUPAC6-methoxy-N-octyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCCCCCCNC1CCc2cc(OC)ccc2C1
InChIInChI=1S/C19H31NO/c1-3-4-5-6-7-8-13-20-18-11-9-17-15-19(21-2)12-10-16(17)14-18/h10,12,15,18,20H,3-9,11,13-14H2,1-2H3
InChIKeyBDXRDAHPZBYWEZ-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.50
Rot. Bonds9

About 6-methoxy-N-octyl-1,2,3,4-tetrahydronaphthalen-2-amine

6-methoxy-N-octyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 23634994) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 6-methoxy-N-octyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name6-methoxy-N-octyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID23634994
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name6-methoxy-N-octyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCCCCCCNC1CCc2cc(OC)ccc2C1
InChIInChI=1S/C19H31NO/c1-3-4-5-6-7-8-13-20-18-11-9-17-15-19(21-2)12-10-16(17)14-18/h10,12,15,18,20H,3-9,11,13-14H2,1-2H3
InChIKeyBDXRDAHPZBYWEZ-UHFFFAOYSA-N
XLogP4.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.50
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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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-octyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 6-methoxy-N-octyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 23634994) is 6-methoxy-N-octyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 6-methoxy-N-octyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 6-methoxy-N-octyl-1,2,3,4-tetrahydronaphthalen-2-amine is CCCCCCCCNC1CCc2cc(OC)ccc2C1.
What is the InChIKey of 6-methoxy-N-octyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is BDXRDAHPZBYWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-3-4-5-6-7-8-13-20-18-11-9-17-15-19(21-2)12-10-16(17)14-18/h10,12,15,18,20H,3-9,11,13-14H2,1-2H3.
What are the key properties of 6-methoxy-N-octyl-1,2,3,4-tetrahydronaphthalen-2-amine?
6-methoxy-N-octyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 289.46 g/mol, XLogP of 4.50, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-octyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 23634994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).