N-[(4-methoxy-2-prop-2-enoxyphenyl)methyl]cyclopropanamine

C14H19NO2 — CID 61267827

IUPACN-[(4-methoxy-2-prop-2-enoxyphenyl)methyl]cyclopropanamine
SMILESC=CCOc1cc(OC)ccc1CNC1CC1
InChIInChI=1S/C14H19NO2/c1-3-8-17-14-9-13(16-2)7-4-11(14)10-15-12-5-6-12/h3-4,7,9,12,15H,1,5-6,8,10H2,2H3
InChIKeyDIGNIEQNHGYOCG-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.51
Rot. Bonds7

About N-[(4-methoxy-2-prop-2-enoxyphenyl)methyl]cyclopropanamine

N-[(4-methoxy-2-prop-2-enoxyphenyl)methyl]cyclopropanamine (PubChem CID 61267827) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[(4-methoxy-2-prop-2-enoxyphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-methoxy-2-prop-2-enoxyphenyl)methyl]cyclopropanamine
PubChem CID61267827
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-[(4-methoxy-2-prop-2-enoxyphenyl)methyl]cyclopropanamine
SMILESC=CCOc1cc(OC)ccc1CNC1CC1
InChIInChI=1S/C14H19NO2/c1-3-8-17-14-9-13(16-2)7-4-11(14)10-15-12-5-6-12/h3-4,7,9,12,15H,1,5-6,8,10H2,2H3
InChIKeyDIGNIEQNHGYOCG-UHFFFAOYSA-N
XLogP2.51
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(2-ethylbutoxy)-4-methoxyphenyl]methyl]cyclopropanamine
CID 82927332
N-[(2,4-dimethoxyphenyl)methyl]cyclododecanamine;hydrochloride
CID 21435442
N-[[4-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methyl]cyclopropanamine
CID 61484961
2-[2-[(cyclopropylamino)methyl]-5-methoxyphenoxy]-N-propan-2-ylacetamide
CID 61268733
N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 167726962
N-[(2,5-dimethoxyphenyl)methyl]cyclopentanamine
CID 792687
N-[[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 115978909
N-[(4-methoxy-2-pentan-2-yloxyphenyl)methyl]cyclopropanamine
CID 107890884
N-[(2-chloro-4-methoxyphenyl)methyl]cyclopentanamine
CID 82292670
N-[[5-methoxy-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine
CID 65365198
N-[(3-prop-2-enoxy-4-pyridinyl)methyl]cyclopropanamine
CID 105074850
N-[(2,4-dimethoxyphenyl)methyl]-3-ethylcyclopentan-1-amine
CID 64500923

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-2-prop-2-enoxyphenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(4-methoxy-2-prop-2-enoxyphenyl)methyl]cyclopropanamine (CID 61267827) is N-[(4-methoxy-2-prop-2-enoxyphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4-methoxy-2-prop-2-enoxyphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4-methoxy-2-prop-2-enoxyphenyl)methyl]cyclopropanamine is C=CCOc1cc(OC)ccc1CNC1CC1.
What is the InChIKey of N-[(4-methoxy-2-prop-2-enoxyphenyl)methyl]cyclopropanamine?
The InChIKey is DIGNIEQNHGYOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-8-17-14-9-13(16-2)7-4-11(14)10-15-12-5-6-12/h3-4,7,9,12,15H,1,5-6,8,10H2,2H3.
What are the key properties of N-[(4-methoxy-2-prop-2-enoxyphenyl)methyl]cyclopropanamine?
N-[(4-methoxy-2-prop-2-enoxyphenyl)methyl]cyclopropanamine has a molecular weight of 233.31 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-2-prop-2-enoxyphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 61267827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).