N-[[5-methoxy-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine

C13H19NO3 — CID 65365198

IUPACN-[[5-methoxy-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine
SMILESCOCOc1ccc(OC)cc1CNC1CC1
InChIInChI=1S/C13H19NO3/c1-15-9-17-13-6-5-12(16-2)7-10(13)8-14-11-3-4-11/h5-7,11,14H,3-4,8-9H2,1-2H3
InChIKeyWHCSQESPOYKOIZ-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.93
Rot. Bonds7

About N-[[5-methoxy-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine

N-[[5-methoxy-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine (PubChem CID 65365198) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[[5-methoxy-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-methoxy-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine
PubChem CID65365198
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-[[5-methoxy-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine
SMILESCOCOc1ccc(OC)cc1CNC1CC1
InChIInChI=1S/C13H19NO3/c1-15-9-17-13-6-5-12(16-2)7-10(13)8-14-11-3-4-11/h5-7,11,14H,3-4,8-9H2,1-2H3
InChIKeyWHCSQESPOYKOIZ-UHFFFAOYSA-N
XLogP1.93
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]cyclopropanamine
CID 54935637
N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 167726962
N-[(2,5-dimethoxyphenyl)methyl]cyclopentanamine
CID 792687
N-[[5-methoxy-2-(2-methylpropoxy)phenyl]methyl]cyclopropanamine
CID 43276456
N-[[5-chloro-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine
CID 65365706
N-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]cyclopropanamine
CID 81106162
N-[[2-(2-ethylbutoxy)-5-methoxyphenyl]methyl]cyclopropanamine
CID 82926714
N-[(2-cyclopentyloxy-5-methoxyphenyl)methyl]cyclopropanamine
CID 43276489
N-[[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]methyl]cyclopropanamine
CID 61481281
N-[[5-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methyl]cyclopropanamine
CID 61485354
1-[2-[(cyclopropylamino)methyl]-4-methoxyphenoxy]-2-methylbutan-2-ol
CID 114491540
1-[2-[(cyclopropylamino)methyl]-4-methoxyphenoxy]-2,3-dimethylbutan-2-ol
CID 114491542

Frequently Asked Questions

What is the IUPAC name of N-[[5-methoxy-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-methoxy-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine (CID 65365198) is N-[[5-methoxy-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-methoxy-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-methoxy-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine is COCOc1ccc(OC)cc1CNC1CC1.
What is the InChIKey of N-[[5-methoxy-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is WHCSQESPOYKOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-15-9-17-13-6-5-12(16-2)7-10(13)8-14-11-3-4-11/h5-7,11,14H,3-4,8-9H2,1-2H3.
What are the key properties of N-[[5-methoxy-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine?
N-[[5-methoxy-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 237.30 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methoxy-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 65365198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).