N-[2-[3-methoxy-2-[1-(methylamino)ethyl]phenoxy]ethyl]-N-methylcyclopropanamine

C16H26N2O2 — CID 102740278

IUPACN-[2-[3-methoxy-2-[1-(methylamino)ethyl]phenoxy]ethyl]-N-methylcyclopropanamine
SMILESCNC(C)c1c(OC)cccc1OCCN(C)C1CC1
InChIInChI=1S/C16H26N2O2/c1-12(17-2)16-14(19-4)6-5-7-15(16)20-11-10-18(3)13-8-9-13/h5-7,12-13,17H,8-11H2,1-4H3
InChIKeyWYFSPHDHXSAUSI-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.45
Rot. Bonds8

About N-[2-[3-methoxy-2-[1-(methylamino)ethyl]phenoxy]ethyl]-N-methylcyclopropanamine

N-[2-[3-methoxy-2-[1-(methylamino)ethyl]phenoxy]ethyl]-N-methylcyclopropanamine (PubChem CID 102740278) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[2-[3-methoxy-2-[1-(methylamino)ethyl]phenoxy]ethyl]-N-methylcyclopropanamine.

Molecular Properties

Compound NameN-[2-[3-methoxy-2-[1-(methylamino)ethyl]phenoxy]ethyl]-N-methylcyclopropanamine
PubChem CID102740278
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[2-[3-methoxy-2-[1-(methylamino)ethyl]phenoxy]ethyl]-N-methylcyclopropanamine
SMILESCNC(C)c1c(OC)cccc1OCCN(C)C1CC1
InChIInChI=1S/C16H26N2O2/c1-12(17-2)16-14(19-4)6-5-7-15(16)20-11-10-18(3)13-8-9-13/h5-7,12-13,17H,8-11H2,1-4H3
InChIKeyWYFSPHDHXSAUSI-UHFFFAOYSA-N
XLogP2.45
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[3-fluoro-2-[1-(methylamino)ethyl]phenoxy]ethyl]-N-methylcyclopropanamine
CID 102740253
1-[2-methoxy-6-(3-methoxypropoxy)phenyl]-N-methylethanamine
CID 113389088
N-[2-[2-chloro-4-[1-(methylamino)ethyl]phenoxy]ethyl]-N-methylcyclopropanamine
CID 102740312
1-(2-cyclopentyloxy-6-methoxyphenyl)-N-methylethanamine
CID 113389061
N-[2-(2-methoxyphenoxy)ethyl]-N-methylthian-4-amine
CID 91831507
2-[2-[cyclopropyl(methyl)amino]ethoxy]-6-propoxyaniline
CID 102739820
N-[2-[2-[(tert-butylamino)methyl]phenoxy]ethyl]-N-methylcyclopropanamine
CID 62417039
1-[2-[2-(dimethylamino)ethylsulfanyl]-6-methoxyphenyl]-N-methylethanamine
CID 113389150
N-[1-[2-(2-cyclobutylethoxy)-6-methoxyphenyl]ethyl]propan-1-amine
CID 106202382
1-[2-methoxy-6-(1-methylpyrazol-4-yl)oxyphenyl]-N-methylethanamine
CID 116792885
(1R)-1-[2-(2-cyclopropylethoxy)-6-methoxyphenyl]ethanamine
CID 114157550
4-N-methyl-4-N-[2-(2-methylphenoxy)ethyl]cyclohexane-1,4-diamine
CID 79121489

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-methoxy-2-[1-(methylamino)ethyl]phenoxy]ethyl]-N-methylcyclopropanamine?
The IUPAC name of N-[2-[3-methoxy-2-[1-(methylamino)ethyl]phenoxy]ethyl]-N-methylcyclopropanamine (CID 102740278) is N-[2-[3-methoxy-2-[1-(methylamino)ethyl]phenoxy]ethyl]-N-methylcyclopropanamine.
What is the SMILES notation for N-[2-[3-methoxy-2-[1-(methylamino)ethyl]phenoxy]ethyl]-N-methylcyclopropanamine?
The canonical SMILES for N-[2-[3-methoxy-2-[1-(methylamino)ethyl]phenoxy]ethyl]-N-methylcyclopropanamine is CNC(C)c1c(OC)cccc1OCCN(C)C1CC1.
What is the InChIKey of N-[2-[3-methoxy-2-[1-(methylamino)ethyl]phenoxy]ethyl]-N-methylcyclopropanamine?
The InChIKey is WYFSPHDHXSAUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(17-2)16-14(19-4)6-5-7-15(16)20-11-10-18(3)13-8-9-13/h5-7,12-13,17H,8-11H2,1-4H3.
What are the key properties of N-[2-[3-methoxy-2-[1-(methylamino)ethyl]phenoxy]ethyl]-N-methylcyclopropanamine?
N-[2-[3-methoxy-2-[1-(methylamino)ethyl]phenoxy]ethyl]-N-methylcyclopropanamine has a molecular weight of 278.40 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-methoxy-2-[1-(methylamino)ethyl]phenoxy]ethyl]-N-methylcyclopropanamine is sourced from PubChem (CID 102740278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).