2-[(4-methoxyphenoxy)methyl]-N-methylcyclopropan-1-amine

C12H17NO2 — CID 112547426

IUPAC2-[(4-methoxyphenoxy)methyl]-N-methylcyclopropan-1-amine
SMILESCNC1CC1COc1ccc(OC)cc1
InChIInChI=1S/C12H17NO2/c1-13-12-7-9(12)8-15-11-5-3-10(14-2)4-6-11/h3-6,9,12-13H,7-8H2,1-2H3
InChIKeyJOSBCQXRGOTEGW-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.68
Rot. Bonds5

About 2-[(4-methoxyphenoxy)methyl]-N-methylcyclopropan-1-amine

2-[(4-methoxyphenoxy)methyl]-N-methylcyclopropan-1-amine (PubChem CID 112547426) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-[(4-methoxyphenoxy)methyl]-N-methylcyclopropan-1-amine.

Molecular Properties

Compound Name2-[(4-methoxyphenoxy)methyl]-N-methylcyclopropan-1-amine
PubChem CID112547426
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-[(4-methoxyphenoxy)methyl]-N-methylcyclopropan-1-amine
SMILESCNC1CC1COc1ccc(OC)cc1
InChIInChI=1S/C12H17NO2/c1-13-12-7-9(12)8-15-11-5-3-10(14-2)4-6-11/h3-6,9,12-13H,7-8H2,1-2H3
InChIKeyJOSBCQXRGOTEGW-UHFFFAOYSA-N
XLogP1.68
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-tert-butylphenoxy)methyl]-N-methylcyclopropan-1-amine
CID 112547457
N-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]cyclopropan-1-amine
CID 112547441
2-ethoxy-3-(4-methoxyphenoxy)-N-methylcyclobutan-1-amine
CID 104676046
1-(4-methoxyphenoxy)-N-methylmethanamine
CID 22961125
2-(4-methoxyphenoxy)-N,3,5-trimethylcyclohexan-1-amine
CID 64751193
N-[(1R,2S)-2-[(4-propan-2-ylphenoxy)methyl]cyclopropyl]ethanesulfonamide
CID 70818358
[(4S)-3-[(4-methoxyphenoxy)methyl]-1-methylpiperidin-4-yl]phosphane
CID 166820358
2-N-[(4-methoxyphenyl)methyl]-1-N-methylcyclohexane-1,2-diamine
CID 167008714
1-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-N-methylmethanamine
CID 94558393
4-[(4-methoxyphenoxy)methyl]piperidine;hydrochloride
CID 23724366
2-(4-methoxyphenoxy)cyclopropan-1-amine
CID 119092360
3-[(4-methoxyphenyl)methyl]-N-methyloxan-4-amine
CID 71648106

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenoxy)methyl]-N-methylcyclopropan-1-amine?
The IUPAC name of 2-[(4-methoxyphenoxy)methyl]-N-methylcyclopropan-1-amine (CID 112547426) is 2-[(4-methoxyphenoxy)methyl]-N-methylcyclopropan-1-amine.
What is the SMILES notation for 2-[(4-methoxyphenoxy)methyl]-N-methylcyclopropan-1-amine?
The canonical SMILES for 2-[(4-methoxyphenoxy)methyl]-N-methylcyclopropan-1-amine is CNC1CC1COc1ccc(OC)cc1.
What is the InChIKey of 2-[(4-methoxyphenoxy)methyl]-N-methylcyclopropan-1-amine?
The InChIKey is JOSBCQXRGOTEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-13-12-7-9(12)8-15-11-5-3-10(14-2)4-6-11/h3-6,9,12-13H,7-8H2,1-2H3.
What are the key properties of 2-[(4-methoxyphenoxy)methyl]-N-methylcyclopropan-1-amine?
2-[(4-methoxyphenoxy)methyl]-N-methylcyclopropan-1-amine has a molecular weight of 207.27 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenoxy)methyl]-N-methylcyclopropan-1-amine is sourced from PubChem (CID 112547426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).