N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylcyclopropan-1-amine

C14H21NO2 — CID 113238202

IUPACN-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylcyclopropan-1-amine
SMILESCCOc1cccc(CNC2(C)CC2)c1OC
InChIInChI=1S/C14H21NO2/c1-4-17-12-7-5-6-11(13(12)16-3)10-15-14(2)8-9-14/h5-7,15H,4,8-10H2,1-3H3
InChIKeyHFIZGTULOXRMFK-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.74
Rot. Bonds6

About N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylcyclopropan-1-amine

N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylcyclopropan-1-amine (PubChem CID 113238202) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylcyclopropan-1-amine
PubChem CID113238202
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylcyclopropan-1-amine
SMILESCCOc1cccc(CNC2(C)CC2)c1OC
InChIInChI=1S/C14H21NO2/c1-4-17-12-7-5-6-11(13(12)16-3)10-15-14(2)8-9-14/h5-7,15H,4,8-10H2,1-3H3
InChIKeyHFIZGTULOXRMFK-UHFFFAOYSA-N
XLogP2.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylcyclobutan-1-amine
CID 115765654
N-[(2-methoxyphenyl)methyl]-1-methylcyclopropan-1-amine
CID 115635134
N-[(2,3-dimethoxyphenyl)methyl]-3-methyloxolan-3-amine
CID 115768698
N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79353060
2-methoxy-6-[[(1-methylcyclopropyl)amino]methyl]phenol
CID 115635052
1-[[(3-ethoxy-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 62866382
N-[(3-ethoxy-2-methoxyphenyl)methyl]-4-iodoaniline
CID 43773219
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine
CID 55071667
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2,5-dimethylpyrrol-1-amine
CID 79090813
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methoxyaniline
CID 43757786
1-cyclopropyl-N-[(3-ethoxy-2-methoxyphenyl)methyl]ethanamine
CID 43224478
3-[[(3-ethoxy-2-methoxyphenyl)methylamino]methyl]oxolan-3-ol
CID 103848277

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylcyclopropan-1-amine?
The IUPAC name of N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylcyclopropan-1-amine (CID 113238202) is N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylcyclopropan-1-amine.
What is the SMILES notation for N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylcyclopropan-1-amine?
The canonical SMILES for N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylcyclopropan-1-amine is CCOc1cccc(CNC2(C)CC2)c1OC.
What is the InChIKey of N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylcyclopropan-1-amine?
The InChIKey is HFIZGTULOXRMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-17-12-7-5-6-11(13(12)16-3)10-15-14(2)8-9-14/h5-7,15H,4,8-10H2,1-3H3.
What are the key properties of N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylcyclopropan-1-amine?
N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylcyclopropan-1-amine has a molecular weight of 235.33 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylcyclopropan-1-amine is sourced from PubChem (CID 113238202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).