N-ethyl-1-[2-methoxy-6-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine

C15H25NO2 — CID 113389077

IUPACN-ethyl-1-[2-methoxy-6-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine
SMILESCCNC(C)c1c(OC)cccc1OC(C)(C)C
InChIInChI=1S/C15H25NO2/c1-7-16-11(2)14-12(17-6)9-8-10-13(14)18-15(3,4)5/h8-11,16H,7H2,1-6H3
InChIKeyMQPGYKSVZAMMCM-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.54
Rot. Bonds5

About N-ethyl-1-[2-methoxy-6-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine

N-ethyl-1-[2-methoxy-6-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine (PubChem CID 113389077) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-ethyl-1-[2-methoxy-6-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[2-methoxy-6-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine
PubChem CID113389077
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-ethyl-1-[2-methoxy-6-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine
SMILESCCNC(C)c1c(OC)cccc1OC(C)(C)C
InChIInChI=1S/C15H25NO2/c1-7-16-11(2)14-12(17-6)9-8-10-13(14)18-15(3,4)5/h8-11,16H,7H2,1-6H3
InChIKeyMQPGYKSVZAMMCM-UHFFFAOYSA-N
XLogP3.54
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(2-methoxy-6-propylsulfanylphenyl)ethanamine
CID 113389112
1-(2-butan-2-ylsulfanyl-6-methoxyphenyl)-N-ethylethanamine
CID 113389108
N-ethyl-1-[2-fluoro-6-(2-methoxyphenoxy)phenyl]ethanamine
CID 43285597
1-(2,6-dimethoxyphenyl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 105052132
N-benzyl-2-[1-(ethylamino)ethyl]-3-methoxy-N-propan-2-ylaniline
CID 113388939
1-(2,6-dimethoxyphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103032151
N-[(2,6-dimethoxyphenyl)-phenylmethyl]ethanamine
CID 43489150
1-(2,6-dimethoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine
CID 105188719
1-(2,6-dimethoxyphenyl)-N-ethyl-5-methylhexan-1-amine
CID 105028738
1-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-2-methylpentan-2-ol
CID 103783359
1-(2-chloro-6-methoxyphenyl)-N-ethylethane-1,2-diamine
CID 104816313
1-(2,6-dimethoxyphenyl)-N-ethyl-2-ethylsulfanylethanamine
CID 116810456

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-methoxy-6-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[2-methoxy-6-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine (CID 113389077) is N-ethyl-1-[2-methoxy-6-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[2-methoxy-6-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[2-methoxy-6-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine is CCNC(C)c1c(OC)cccc1OC(C)(C)C.
What is the InChIKey of N-ethyl-1-[2-methoxy-6-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine?
The InChIKey is MQPGYKSVZAMMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-7-16-11(2)14-12(17-6)9-8-10-13(14)18-15(3,4)5/h8-11,16H,7H2,1-6H3.
What are the key properties of N-ethyl-1-[2-methoxy-6-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine?
N-ethyl-1-[2-methoxy-6-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine has a molecular weight of 251.37 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-methoxy-6-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine is sourced from PubChem (CID 113389077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).