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

C15H23NO3 — CID 54935637

IUPACN-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]cyclopropanamine
SMILESCOCCCOc1ccc(OC)cc1CNC1CC1
InChIInChI=1S/C15H23NO3/c1-17-8-3-9-19-15-7-6-14(18-2)10-12(15)11-16-13-4-5-13/h6-7,10,13,16H,3-5,8-9,11H2,1-2H3
InChIKeyCHBDWVNBQARLCH-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.36
Rot. Bonds9

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

N-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]cyclopropanamine (PubChem CID 54935637) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]cyclopropanamine
PubChem CID54935637
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]cyclopropanamine
SMILESCOCCCOc1ccc(OC)cc1CNC1CC1
InChIInChI=1S/C15H23NO3/c1-17-8-3-9-19-15-7-6-14(18-2)10-12(15)11-16-13-4-5-13/h6-7,10,13,16H,3-5,8-9,11H2,1-2H3
InChIKeyCHBDWVNBQARLCH-UHFFFAOYSA-N
XLogP2.36
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.36
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-(3-fluoropropoxy)-5-methoxyphenyl]methyl]cyclopropanamine
CID 81106162
N-[[5-methoxy-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine
CID 65365198
N-[[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]methyl]cyclopropanamine
CID 61481281
N-[[5-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methyl]cyclopropanamine
CID 61485354
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-bromo-2-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine
CID 104646884
N-[[5-fluoro-2-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine
CID 107696508
N-[[5-chloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 103177541
N-[[2-(2-ethylbutoxy)-5-methoxyphenyl]methyl]cyclopropanamine
CID 82926714
N-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 54935590

Frequently Asked Questions

What is the IUPAC name of N-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]cyclopropanamine (CID 54935637) is N-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]cyclopropanamine is COCCCOc1ccc(OC)cc1CNC1CC1.
What is the InChIKey of N-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is CHBDWVNBQARLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-17-8-3-9-19-15-7-6-14(18-2)10-12(15)11-16-13-4-5-13/h6-7,10,13,16H,3-5,8-9,11H2,1-2H3.
What are the key properties of N-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]cyclopropanamine?
N-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 265.35 g/mol, XLogP of 2.36, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 54935637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).