N-[[2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]cyclopropanamine

C16H25NO2 — CID 62443971

IUPACN-[[2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]cyclopropanamine
SMILESCC(C)COCCOc1ccccc1CNC1CC1
InChIInChI=1S/C16H25NO2/c1-13(2)12-18-9-10-19-16-6-4-3-5-14(16)11-17-15-7-8-15/h3-6,13,15,17H,7-12H2,1-2H3
InChIKeyXVAXVPXXLDHSFB-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.99
Rot. Bonds9

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

N-[[2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]cyclopropanamine (PubChem CID 62443971) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[[2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]cyclopropanamine
PubChem CID62443971
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[[2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]cyclopropanamine
SMILESCC(C)COCCOc1ccccc1CNC1CC1
InChIInChI=1S/C16H25NO2/c1-13(2)12-18-9-10-19-16-6-4-3-5-14(16)11-17-15-7-8-15/h3-6,13,15,17H,7-12H2,1-2H3
InChIKeyXVAXVPXXLDHSFB-UHFFFAOYSA-N
XLogP2.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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]ethanamine
CID 55073215
N-[[2-(2-cyclohexyloxyethoxy)phenyl]methyl]cyclopropanamine
CID 62444426
N-[[2-(2-but-3-enoxyethoxy)phenyl]methyl]cyclopropanamine
CID 62443050
1-[2-[(cyclopropylamino)methyl]phenoxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106988475
N-[[2-[2-[butan-2-yl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine
CID 62418765
N-[[2-(2-methylsulfonylethoxy)phenyl]methyl]cyclopropanamine
CID 54937034
N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]cyclopropanamine
CID 43277400
N-[[2-[2-(1-methylpyrazol-4-yl)oxyethoxy]phenyl]methyl]cyclopropanamine
CID 116793588
N-[[2-[2-(2-methylpyrrolidin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 62438792
N-[(2-ethoxyphenyl)methyl]cyclohexanamine;hydrochloride
CID 6460007
N-[[2-[2-(2,2-difluoroethoxy)ethoxy]phenyl]methyl]propan-2-amine
CID 82007247
N-[2-(2-methylpropoxy)ethyl]-4-phenylcyclohexan-1-amine
CID 115584682

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]cyclopropanamine (CID 62443971) is N-[[2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]cyclopropanamine is CC(C)COCCOc1ccccc1CNC1CC1.
What is the InChIKey of N-[[2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]cyclopropanamine?
The InChIKey is XVAXVPXXLDHSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-13(2)12-18-9-10-19-16-6-4-3-5-14(16)11-17-15-7-8-15/h3-6,13,15,17H,7-12H2,1-2H3.
What are the key properties of N-[[2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]cyclopropanamine?
N-[[2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]cyclopropanamine has a molecular weight of 263.38 g/mol, XLogP of 2.99, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 62443971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).