N-[[2-[2-(1-methylpyrazol-4-yl)oxyethoxy]phenyl]methyl]cyclopropanamine

C16H21N3O2 — CID 116793588

IUPACN-[[2-[2-(1-methylpyrazol-4-yl)oxyethoxy]phenyl]methyl]cyclopropanamine
SMILESCn1cc(OCCOc2ccccc2CNC2CC2)cn1
InChIInChI=1S/C16H21N3O2/c1-19-12-15(11-18-19)20-8-9-21-16-5-3-2-4-13(16)10-17-14-6-7-14/h2-5,11-12,14,17H,6-10H2,1H3
InChIKeyXTQXYHARRGVPGU-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.13
Rot. Bonds8

About N-[[2-[2-(1-methylpyrazol-4-yl)oxyethoxy]phenyl]methyl]cyclopropanamine

N-[[2-[2-(1-methylpyrazol-4-yl)oxyethoxy]phenyl]methyl]cyclopropanamine (PubChem CID 116793588) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[[2-[2-(1-methylpyrazol-4-yl)oxyethoxy]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[2-(1-methylpyrazol-4-yl)oxyethoxy]phenyl]methyl]cyclopropanamine
PubChem CID116793588
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[[2-[2-(1-methylpyrazol-4-yl)oxyethoxy]phenyl]methyl]cyclopropanamine
SMILESCn1cc(OCCOc2ccccc2CNC2CC2)cn1
InChIInChI=1S/C16H21N3O2/c1-19-12-15(11-18-19)20-8-9-21-16-5-3-2-4-13(16)10-17-14-6-7-14/h2-5,11-12,14,17H,6-10H2,1H3
InChIKeyXTQXYHARRGVPGU-UHFFFAOYSA-N
XLogP2.13
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 62443971
N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]cyclopropanamine
CID 43277400
1-methyl-4-(2-phenoxyethoxy)pyrazole
CID 115753034
N-[2-(1-methylpyrazol-4-yl)oxyethyl]cyclopentanamine
CID 116793724
N-[[2-[2-(2-methylpyrrolidin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 62438792
N-[[2-(2-cyclohexyloxyethoxy)phenyl]methyl]cyclopropanamine
CID 62444426
N-[[2-(2-methylsulfonylethoxy)phenyl]methyl]cyclopropanamine
CID 54937034
N-[[2-[2-[butan-2-yl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine
CID 62418765
N-[[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 107911041
N-[[2-(2-but-3-enoxyethoxy)phenyl]methyl]cyclopropanamine
CID 62443050
N-[[5-chloro-2-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]cyclopropanamine
CID 114929107
N-[[2-[2-[3-methoxypropyl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine
CID 63009926

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(1-methylpyrazol-4-yl)oxyethoxy]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[2-(1-methylpyrazol-4-yl)oxyethoxy]phenyl]methyl]cyclopropanamine (CID 116793588) is N-[[2-[2-(1-methylpyrazol-4-yl)oxyethoxy]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[2-(1-methylpyrazol-4-yl)oxyethoxy]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[2-(1-methylpyrazol-4-yl)oxyethoxy]phenyl]methyl]cyclopropanamine is Cn1cc(OCCOc2ccccc2CNC2CC2)cn1.
What is the InChIKey of N-[[2-[2-(1-methylpyrazol-4-yl)oxyethoxy]phenyl]methyl]cyclopropanamine?
The InChIKey is XTQXYHARRGVPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-19-12-15(11-18-19)20-8-9-21-16-5-3-2-4-13(16)10-17-14-6-7-14/h2-5,11-12,14,17H,6-10H2,1H3.
What are the key properties of N-[[2-[2-(1-methylpyrazol-4-yl)oxyethoxy]phenyl]methyl]cyclopropanamine?
N-[[2-[2-(1-methylpyrazol-4-yl)oxyethoxy]phenyl]methyl]cyclopropanamine has a molecular weight of 287.36 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(1-methylpyrazol-4-yl)oxyethoxy]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 116793588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).