N-[[4-(2-methoxyethoxy)-3,5-dimethylphenyl]methyl]cyclopropanamine

C15H23NO2 — CID 43276814

IUPACN-[[4-(2-methoxyethoxy)-3,5-dimethylphenyl]methyl]cyclopropanamine
SMILESCOCCOc1c(C)cc(CNC2CC2)cc1C
InChIInChI=1S/C15H23NO2/c1-11-8-13(10-16-14-4-5-14)9-12(2)15(11)18-7-6-17-3/h8-9,14,16H,4-7,10H2,1-3H3
InChIKeyOMLFLBDMLLCFSC-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.58
Rot. Bonds7

About N-[[4-(2-methoxyethoxy)-3,5-dimethylphenyl]methyl]cyclopropanamine

N-[[4-(2-methoxyethoxy)-3,5-dimethylphenyl]methyl]cyclopropanamine (PubChem CID 43276814) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[[4-(2-methoxyethoxy)-3,5-dimethylphenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(2-methoxyethoxy)-3,5-dimethylphenyl]methyl]cyclopropanamine
PubChem CID43276814
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-[[4-(2-methoxyethoxy)-3,5-dimethylphenyl]methyl]cyclopropanamine
SMILESCOCCOc1c(C)cc(CNC2CC2)cc1C
InChIInChI=1S/C15H23NO2/c1-11-8-13(10-16-14-4-5-14)9-12(2)15(11)18-7-6-17-3/h8-9,14,16H,4-7,10H2,1-3H3
InChIKeyOMLFLBDMLLCFSC-UHFFFAOYSA-N
XLogP2.58
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]butanoate
CID 60880078
1-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]-3-methoxypropan-2-ol
CID 63928973
methyl 2-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]acetate
CID 60880238
N-[[3,5-dimethyl-4-(2-methylpropoxy)phenyl]methyl]cyclopropanamine
CID 43276817
N-[[4-(cyclobutylmethoxy)-3,5-dimethylphenyl]methyl]cyclopropanamine
CID 65459145
N-[[3,5-dimethyl-4-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]methyl]cyclopropanamine
CID 116614949
4-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]-2,2-dimethylbutanenitrile
CID 65250053
N-[(3,5-dimethyl-4-propan-2-yloxyphenyl)methyl]cyclopropanamine
CID 43276848
2-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]-N-propylacetamide
CID 43276832
5-ethyl-2-(2-methoxyethoxy)-1,3-dimethylbenzene
CID 174787766
N-[[3,5-dimethyl-4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 60879896
methyl 2-[4-[[(3-carbamoylcyclohexyl)amino]methyl]-2,6-dimethylphenoxy]acetate
CID 119137541

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methoxyethoxy)-3,5-dimethylphenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(2-methoxyethoxy)-3,5-dimethylphenyl]methyl]cyclopropanamine (CID 43276814) is N-[[4-(2-methoxyethoxy)-3,5-dimethylphenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(2-methoxyethoxy)-3,5-dimethylphenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(2-methoxyethoxy)-3,5-dimethylphenyl]methyl]cyclopropanamine is COCCOc1c(C)cc(CNC2CC2)cc1C.
What is the InChIKey of N-[[4-(2-methoxyethoxy)-3,5-dimethylphenyl]methyl]cyclopropanamine?
The InChIKey is OMLFLBDMLLCFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-8-13(10-16-14-4-5-14)9-12(2)15(11)18-7-6-17-3/h8-9,14,16H,4-7,10H2,1-3H3.
What are the key properties of N-[[4-(2-methoxyethoxy)-3,5-dimethylphenyl]methyl]cyclopropanamine?
N-[[4-(2-methoxyethoxy)-3,5-dimethylphenyl]methyl]cyclopropanamine has a molecular weight of 249.35 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methoxyethoxy)-3,5-dimethylphenyl]methyl]cyclopropanamine is sourced from PubChem (CID 43276814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).