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

C16H25NO3 — CID 61485354

IUPACN-[[5-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methyl]cyclopropanamine
SMILESCOc1ccc(OCCOC(C)C)c(CNC2CC2)c1
InChIInChI=1S/C16H25NO3/c1-12(2)19-8-9-20-16-7-6-15(18-3)10-13(16)11-17-14-4-5-14/h6-7,10,12,14,17H,4-5,8-9,11H2,1-3H3
InChIKeyJHJVNWLAJHDKAG-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.75
Rot. Bonds9

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

N-[[5-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methyl]cyclopropanamine (PubChem CID 61485354) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[[5-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methyl]cyclopropanamine
PubChem CID61485354
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-[[5-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methyl]cyclopropanamine
SMILESCOc1ccc(OCCOC(C)C)c(CNC2CC2)c1
InChIInChI=1S/C16H25NO3/c1-12(2)19-8-9-20-16-7-6-15(18-3)10-13(16)11-17-14-4-5-14/h6-7,10,12,14,17H,4-5,8-9,11H2,1-3H3
InChIKeyJHJVNWLAJHDKAG-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
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-[[4-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methyl]cyclopropanamine
CID 61484961
N-[[5-methoxy-2-(2-methylpropoxy)phenyl]methyl]cyclopropanamine
CID 43276456
N-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]cyclopropanamine
CID 54935637
N-[[2-(2-ethylbutoxy)-5-methoxyphenyl]methyl]cyclopropanamine
CID 82926714
N-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]cyclopropanamine
CID 81106162
N-[[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]methyl]cyclopropanamine
CID 61481281
N-[[5-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63061280
N-[[5-methoxy-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine
CID 65365198
N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 167726962
N-[(2,5-dimethoxyphenyl)methyl]cyclopentanamine
CID 792687
1-[2-[(cyclopropylamino)methyl]-4-methoxyphenoxy]-2,3-dimethylbutan-2-ol
CID 114491542
N-[(2-cyclopentyloxy-5-methoxyphenyl)methyl]cyclopropanamine
CID 43276489

Frequently Asked Questions

What is the IUPAC name of N-[[5-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methyl]cyclopropanamine (CID 61485354) is N-[[5-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methyl]cyclopropanamine is COc1ccc(OCCOC(C)C)c(CNC2CC2)c1.
What is the InChIKey of N-[[5-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is JHJVNWLAJHDKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-12(2)19-8-9-20-16-7-6-15(18-3)10-13(16)11-17-14-4-5-14/h6-7,10,12,14,17H,4-5,8-9,11H2,1-3H3.
What are the key properties of N-[[5-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methyl]cyclopropanamine?
N-[[5-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 279.38 g/mol, XLogP of 2.75, 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-(2-propan-2-yloxyethoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 61485354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).