N-[[4-methoxy-5-(3-methoxypropoxy)-2-methylphenyl]methyl]cyclopropanamine

C16H25NO3 — CID 59494303

IUPACN-[[4-methoxy-5-(3-methoxypropoxy)-2-methylphenyl]methyl]cyclopropanamine
SMILESCOCCCOc1cc(CNC2CC2)c(C)cc1OC
InChIInChI=1S/C16H25NO3/c1-12-9-15(19-3)16(20-8-4-7-18-2)10-13(12)11-17-14-5-6-14/h9-10,14,17H,4-8,11H2,1-3H3
InChIKeyJKXJZUXYZAZGDA-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.67
Rot. Bonds9

About N-[[4-methoxy-5-(3-methoxypropoxy)-2-methylphenyl]methyl]cyclopropanamine

N-[[4-methoxy-5-(3-methoxypropoxy)-2-methylphenyl]methyl]cyclopropanamine (PubChem CID 59494303) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[[4-methoxy-5-(3-methoxypropoxy)-2-methylphenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-methoxy-5-(3-methoxypropoxy)-2-methylphenyl]methyl]cyclopropanamine
PubChem CID59494303
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-[[4-methoxy-5-(3-methoxypropoxy)-2-methylphenyl]methyl]cyclopropanamine
SMILESCOCCCOc1cc(CNC2CC2)c(C)cc1OC
InChIInChI=1S/C16H25NO3/c1-12-9-15(19-3)16(20-8-4-7-18-2)10-13(12)11-17-14-5-6-14/h9-10,14,17H,4-8,11H2,1-3H3
InChIKeyJKXJZUXYZAZGDA-UHFFFAOYSA-N
XLogP2.67
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-chloro-4-methoxy-5-(3-methoxypropoxy)phenyl]methyl]cyclopropanamine
CID 59494193
N-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclobutanamine
CID 96674047
N-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]cyclopropanamine
CID 54935637
N-[[3-methoxy-4-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine
CID 104646908
N-[(2-methoxy-4,5-dimethylphenyl)methyl]cyclobutanamine
CID 82493922
N-[[5-fluoro-2-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine
CID 107696508
N-[(2,4,5-trimethoxyphenyl)methyl]cycloheptanamine
CID 787242
N-[[5-bromo-2-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine
CID 104646884
N-[[5-chloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 103177541
N-[(2-butyl-4,5-dimethoxyphenyl)methyl]cyclopropanamine
CID 106659132
N-[(2,4,5-trimethoxyphenyl)methyl]cycloheptanamine;hydrobromide
CID 75531363
N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]cyclopentanamine
CID 82298659

Frequently Asked Questions

What is the IUPAC name of N-[[4-methoxy-5-(3-methoxypropoxy)-2-methylphenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-methoxy-5-(3-methoxypropoxy)-2-methylphenyl]methyl]cyclopropanamine (CID 59494303) is N-[[4-methoxy-5-(3-methoxypropoxy)-2-methylphenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-methoxy-5-(3-methoxypropoxy)-2-methylphenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-methoxy-5-(3-methoxypropoxy)-2-methylphenyl]methyl]cyclopropanamine is COCCCOc1cc(CNC2CC2)c(C)cc1OC.
What is the InChIKey of N-[[4-methoxy-5-(3-methoxypropoxy)-2-methylphenyl]methyl]cyclopropanamine?
The InChIKey is JKXJZUXYZAZGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-12-9-15(19-3)16(20-8-4-7-18-2)10-13(12)11-17-14-5-6-14/h9-10,14,17H,4-8,11H2,1-3H3.
What are the key properties of N-[[4-methoxy-5-(3-methoxypropoxy)-2-methylphenyl]methyl]cyclopropanamine?
N-[[4-methoxy-5-(3-methoxypropoxy)-2-methylphenyl]methyl]cyclopropanamine has a molecular weight of 279.38 g/mol, XLogP of 2.67, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methoxy-5-(3-methoxypropoxy)-2-methylphenyl]methyl]cyclopropanamine is sourced from PubChem (CID 59494303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).