N-[[3-methoxy-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine

C13H19NO3 — CID 65365555

IUPACN-[[3-methoxy-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine
SMILESCOCOc1c(CNC2CC2)cccc1OC
InChIInChI=1S/C13H19NO3/c1-15-9-17-13-10(8-14-11-6-7-11)4-3-5-12(13)16-2/h3-5,11,14H,6-9H2,1-2H3
InChIKeyMYYKYAISBGQHPR-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.93
Rot. Bonds7

About N-[[3-methoxy-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine

N-[[3-methoxy-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine (PubChem CID 65365555) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[[3-methoxy-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-methoxy-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine
PubChem CID65365555
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-[[3-methoxy-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine
SMILESCOCOc1c(CNC2CC2)cccc1OC
InChIInChI=1S/C13H19NO3/c1-15-9-17-13-10(8-14-11-6-7-11)4-3-5-12(13)16-2/h3-5,11,14H,6-9H2,1-2H3
InChIKeyMYYKYAISBGQHPR-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-[(2,3-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 17295654
N-[[2-(2-fluoroethoxy)-3-methoxyphenyl]methyl]cyclopropanamine
CID 80698601
N-[(2-ethoxy-3-methoxyphenyl)methyl]cyclopentanamine
CID 4717334
1-[2-[(cyclopropylamino)methyl]-6-methoxyphenoxy]-3-methoxypropan-2-ol
CID 63931067
N-[(2,3-dimethoxyphenyl)methyl]cyclopentanamine;hydrobromide
CID 75531449
N-[[3-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43472080
N-[(2,3-dimethoxyphenyl)methyl]thian-4-amine
CID 115584763
N-[[2-[(E)-3-chloro-2-methylprop-2-enoxy]-3-methoxyphenyl]methyl]cyclopropanamine
CID 106436826
1-[2-[(cyclopropylamino)methyl]-6-methoxyphenoxy]-2-methylbutan-2-ol
CID 114491757
2-[2-[(cyclopentylamino)methyl]-6-methoxyphenoxy]acetic acid
CID 102535746
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopropanamine
CID 4722443
N-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopentanamine;hydrochloride
CID 17054592

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-methoxy-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine (CID 65365555) is N-[[3-methoxy-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-methoxy-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-methoxy-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine is COCOc1c(CNC2CC2)cccc1OC.
What is the InChIKey of N-[[3-methoxy-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is MYYKYAISBGQHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-15-9-17-13-10(8-14-11-6-7-11)4-3-5-12(13)16-2/h3-5,11,14H,6-9H2,1-2H3.
What are the key properties of N-[[3-methoxy-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine?
N-[[3-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-[[3-methoxy-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 65365555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).