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

C15H23NO2 — CID 43276456

IUPACN-[[5-methoxy-2-(2-methylpropoxy)phenyl]methyl]cyclopropanamine
SMILESCOc1ccc(OCC(C)C)c(CNC2CC2)c1
InChIInChI=1S/C15H23NO2/c1-11(2)10-18-15-7-6-14(17-3)8-12(15)9-16-13-4-5-13/h6-8,11,13,16H,4-5,9-10H2,1-3H3
InChIKeyPGUWLIRFKBNCRX-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.98
Rot. Bonds7

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

N-[[5-methoxy-2-(2-methylpropoxy)phenyl]methyl]cyclopropanamine (PubChem CID 43276456) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[[5-methoxy-2-(2-methylpropoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-methoxy-2-(2-methylpropoxy)phenyl]methyl]cyclopropanamine
PubChem CID43276456
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-[[5-methoxy-2-(2-methylpropoxy)phenyl]methyl]cyclopropanamine
SMILESCOc1ccc(OCC(C)C)c(CNC2CC2)c1
InChIInChI=1S/C15H23NO2/c1-11(2)10-18-15-7-6-14(17-3)8-12(15)9-16-13-4-5-13/h6-8,11,13,16H,4-5,9-10H2,1-3H3
InChIKeyPGUWLIRFKBNCRX-UHFFFAOYSA-N
XLogP2.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2-ethylbutoxy)-5-methoxyphenyl]methyl]cyclopropanamine
CID 82926714
N-[[5-methoxy-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine
CID 65365198
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-(3-methoxypropoxy)phenyl]methyl]cyclopropanamine
CID 54935637
1-[2-[(cyclopropylamino)methyl]-4-methoxyphenoxy]-2,3-dimethylbutan-2-ol
CID 114491542
N-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]cyclopropanamine
CID 81106162
N-[(2-cyclopentyloxy-5-methoxyphenyl)methyl]cyclopropanamine
CID 43276489
N-[[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]methyl]cyclopropanamine
CID 61481281
1-[2-[(cyclopropylamino)methyl]-4-methoxyphenoxy]-2-methylbutan-2-ol
CID 114491540
2-methoxy-N-[[5-methoxy-2-(2-methylpropoxy)phenyl]methyl]ethanamine
CID 63063528

Frequently Asked Questions

What is the IUPAC name of N-[[5-methoxy-2-(2-methylpropoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-methoxy-2-(2-methylpropoxy)phenyl]methyl]cyclopropanamine (CID 43276456) is N-[[5-methoxy-2-(2-methylpropoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-methoxy-2-(2-methylpropoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-methoxy-2-(2-methylpropoxy)phenyl]methyl]cyclopropanamine is COc1ccc(OCC(C)C)c(CNC2CC2)c1.
What is the InChIKey of N-[[5-methoxy-2-(2-methylpropoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is PGUWLIRFKBNCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(2)10-18-15-7-6-14(17-3)8-12(15)9-16-13-4-5-13/h6-8,11,13,16H,4-5,9-10H2,1-3H3.
What are the key properties of N-[[5-methoxy-2-(2-methylpropoxy)phenyl]methyl]cyclopropanamine?
N-[[5-methoxy-2-(2-methylpropoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 249.35 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methoxy-2-(2-methylpropoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 43276456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).