N-ethyl-2-methoxy-2-methyl-1-naphthalen-1-ylbutan-1-amine

C18H25NO — CID 116757964

IUPACN-ethyl-2-methoxy-2-methyl-1-naphthalen-1-ylbutan-1-amine
SMILESCCNC(c1cccc2ccccc12)C(C)(CC)OC
InChIInChI=1S/C18H25NO/c1-5-18(3,20-4)17(19-6-2)16-13-9-11-14-10-7-8-12-15(14)16/h7-13,17,19H,5-6H2,1-4H3
InChIKeyILMWJVJBEJVNGM-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.31
Rot. Bonds6

About N-ethyl-2-methoxy-2-methyl-1-naphthalen-1-ylbutan-1-amine

N-ethyl-2-methoxy-2-methyl-1-naphthalen-1-ylbutan-1-amine (PubChem CID 116757964) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is N-ethyl-2-methoxy-2-methyl-1-naphthalen-1-ylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methoxy-2-methyl-1-naphthalen-1-ylbutan-1-amine
PubChem CID116757964
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC NameN-ethyl-2-methoxy-2-methyl-1-naphthalen-1-ylbutan-1-amine
SMILESCCNC(c1cccc2ccccc12)C(C)(CC)OC
InChIInChI=1S/C18H25NO/c1-5-18(3,20-4)17(19-6-2)16-13-9-11-14-10-7-8-12-15(14)16/h7-13,17,19H,5-6H2,1-4H3
InChIKeyILMWJVJBEJVNGM-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2,2-dimethyl-1-naphthalen-1-ylpropan-1-amine
CID 62716904
2-ethoxy-N-ethyl-1-isoquinolin-8-yl-2-methylbutan-1-amine
CID 103143830
1-(2,5-dimethoxyphenyl)-N-ethyl-2-methoxy-2-methylbutan-1-amine
CID 116758051
2-methoxy-N,2-dimethyl-1-(2-methylphenyl)butan-1-amine
CID 116757756
1-(2,3-dichlorophenyl)-2-ethoxy-N-ethyl-2-methylbutan-1-amine
CID 116759210
2-tert-butylsulfinyl-N-ethyl-1-naphthalen-1-ylethanamine
CID 64651937
N-ethyl-2-methoxy-2-methyl-1-(5-methylthiophen-2-yl)butan-1-amine
CID 116758104
N,2-diethyl-1-(2-fluorophenyl)-2-methoxybutan-1-amine
CID 116761268
2-ethoxy-N-ethyl-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutan-1-amine
CID 103433948
N-ethyl-3-methyl-1-naphthalen-1-ylbutan-1-amine
CID 62715882
1-(2-fluoro-3-methoxyphenyl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 116757780
1-(3-bromothiophen-2-yl)-N-ethyl-2-methoxy-2-methylbutan-1-amine
CID 116757917

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxy-2-methyl-1-naphthalen-1-ylbutan-1-amine?
The IUPAC name of N-ethyl-2-methoxy-2-methyl-1-naphthalen-1-ylbutan-1-amine (CID 116757964) is N-ethyl-2-methoxy-2-methyl-1-naphthalen-1-ylbutan-1-amine.
What is the SMILES notation for N-ethyl-2-methoxy-2-methyl-1-naphthalen-1-ylbutan-1-amine?
The canonical SMILES for N-ethyl-2-methoxy-2-methyl-1-naphthalen-1-ylbutan-1-amine is CCNC(c1cccc2ccccc12)C(C)(CC)OC.
What is the InChIKey of N-ethyl-2-methoxy-2-methyl-1-naphthalen-1-ylbutan-1-amine?
The InChIKey is ILMWJVJBEJVNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-5-18(3,20-4)17(19-6-2)16-13-9-11-14-10-7-8-12-15(14)16/h7-13,17,19H,5-6H2,1-4H3.
What are the key properties of N-ethyl-2-methoxy-2-methyl-1-naphthalen-1-ylbutan-1-amine?
N-ethyl-2-methoxy-2-methyl-1-naphthalen-1-ylbutan-1-amine has a molecular weight of 271.40 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methoxy-2-methyl-1-naphthalen-1-ylbutan-1-amine is sourced from PubChem (CID 116757964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).