[3,4-dimethoxy-5-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]methanamine

C19H23NO2 — CID 82039407

IUPAC[3,4-dimethoxy-5-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]methanamine
SMILESCOc1cc(CN)cc(-c2ccc3c(c2)CCCC3)c1OC
InChIInChI=1S/C19H23NO2/c1-21-18-10-13(12-20)9-17(19(18)22-2)16-8-7-14-5-3-4-6-15(14)11-16/h7-11H,3-6,12,20H2,1-2H3
InChIKeyLPMDZMBZJWKAGL-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.71
Rot. Bonds4

About [3,4-dimethoxy-5-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]methanamine

[3,4-dimethoxy-5-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]methanamine (PubChem CID 82039407) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is [3,4-dimethoxy-5-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3,4-dimethoxy-5-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]methanamine
PubChem CID82039407
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name[3,4-dimethoxy-5-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]methanamine
SMILESCOc1cc(CN)cc(-c2ccc3c(c2)CCCC3)c1OC
InChIInChI=1S/C19H23NO2/c1-21-18-10-13(12-20)9-17(19(18)22-2)16-8-7-14-5-3-4-6-15(14)11-16/h7-11H,3-6,12,20H2,1-2H3
InChIKeyLPMDZMBZJWKAGL-UHFFFAOYSA-N
XLogP3.71
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3,4-dimethoxy-5-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]methanamine?
The IUPAC name of [3,4-dimethoxy-5-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]methanamine (CID 82039407) is [3,4-dimethoxy-5-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]methanamine.
What is the SMILES notation for [3,4-dimethoxy-5-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]methanamine?
The canonical SMILES for [3,4-dimethoxy-5-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]methanamine is COc1cc(CN)cc(-c2ccc3c(c2)CCCC3)c1OC.
What is the InChIKey of [3,4-dimethoxy-5-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]methanamine?
The InChIKey is LPMDZMBZJWKAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-21-18-10-13(12-20)9-17(19(18)22-2)16-8-7-14-5-3-4-6-15(14)11-16/h7-11H,3-6,12,20H2,1-2H3.
What are the key properties of [3,4-dimethoxy-5-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]methanamine?
[3,4-dimethoxy-5-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]methanamine has a molecular weight of 297.40 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-dimethoxy-5-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]methanamine is sourced from PubChem (CID 82039407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).