N-[2-(7,8-dimethoxy-6-methylnaphthalen-2-yl)ethyl]-N-ethylbutan-1-amine

C21H31NO2 — CID 142201229

IUPACN-[2-(7,8-dimethoxy-6-methylnaphthalen-2-yl)ethyl]-N-ethylbutan-1-amine
SMILESCCCCN(CC)CCc1ccc2cc(C)c(OC)c(OC)c2c1
InChIInChI=1S/C21H31NO2/c1-6-8-12-22(7-2)13-11-17-9-10-18-14-16(3)20(23-4)21(24-5)19(18)15-17/h9-10,14-15H,6-8,11-13H2,1-5H3
InChIKeyLFILENOZGGDTAM-UHFFFAOYSA-N
MW329.48 g/mol
LogP4.83
Rot. Bonds9

About N-[2-(7,8-dimethoxy-6-methylnaphthalen-2-yl)ethyl]-N-ethylbutan-1-amine

N-[2-(7,8-dimethoxy-6-methylnaphthalen-2-yl)ethyl]-N-ethylbutan-1-amine (PubChem CID 142201229) has the molecular formula C21H31NO2 and a molecular weight of 329.48 g/mol. Its IUPAC name is N-[2-(7,8-dimethoxy-6-methylnaphthalen-2-yl)ethyl]-N-ethylbutan-1-amine.

Molecular Properties

Compound NameN-[2-(7,8-dimethoxy-6-methylnaphthalen-2-yl)ethyl]-N-ethylbutan-1-amine
PubChem CID142201229
Molecular FormulaC21H31NO2
Molecular Weight329.48 g/mol
Exact Mass329.24
IUPAC NameN-[2-(7,8-dimethoxy-6-methylnaphthalen-2-yl)ethyl]-N-ethylbutan-1-amine
SMILESCCCCN(CC)CCc1ccc2cc(C)c(OC)c(OC)c2c1
InChIInChI=1S/C21H31NO2/c1-6-8-12-22(7-2)13-11-17-9-10-18-14-16(3)20(23-4)21(24-5)19(18)15-17/h9-10,14-15H,6-8,11-13H2,1-5H3
InChIKeyLFILENOZGGDTAM-UHFFFAOYSA-N
XLogP4.83
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.48
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(7,8-dimethoxy-6-methylnaphthalen-2-yl)ethyl]-N-ethylbutan-1-amine?
The IUPAC name of N-[2-(7,8-dimethoxy-6-methylnaphthalen-2-yl)ethyl]-N-ethylbutan-1-amine (CID 142201229) is N-[2-(7,8-dimethoxy-6-methylnaphthalen-2-yl)ethyl]-N-ethylbutan-1-amine.
What is the SMILES notation for N-[2-(7,8-dimethoxy-6-methylnaphthalen-2-yl)ethyl]-N-ethylbutan-1-amine?
The canonical SMILES for N-[2-(7,8-dimethoxy-6-methylnaphthalen-2-yl)ethyl]-N-ethylbutan-1-amine is CCCCN(CC)CCc1ccc2cc(C)c(OC)c(OC)c2c1.
What is the InChIKey of N-[2-(7,8-dimethoxy-6-methylnaphthalen-2-yl)ethyl]-N-ethylbutan-1-amine?
The InChIKey is LFILENOZGGDTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO2/c1-6-8-12-22(7-2)13-11-17-9-10-18-14-16(3)20(23-4)21(24-5)19(18)15-17/h9-10,14-15H,6-8,11-13H2,1-5H3.
What are the key properties of N-[2-(7,8-dimethoxy-6-methylnaphthalen-2-yl)ethyl]-N-ethylbutan-1-amine?
N-[2-(7,8-dimethoxy-6-methylnaphthalen-2-yl)ethyl]-N-ethylbutan-1-amine has a molecular weight of 329.48 g/mol, XLogP of 4.83, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7,8-dimethoxy-6-methylnaphthalen-2-yl)ethyl]-N-ethylbutan-1-amine is sourced from PubChem (CID 142201229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).