N-[[2-(2-cyclohexyloxyethoxy)phenyl]methyl]cyclopropanamine

C18H27NO2 — CID 62444426

IUPACN-[[2-(2-cyclohexyloxyethoxy)phenyl]methyl]cyclopropanamine
SMILESc1ccc(OCCOC2CCCCC2)c(CNC2CC2)c1
InChIInChI=1S/C18H27NO2/c1-2-7-17(8-3-1)20-12-13-21-18-9-5-4-6-15(18)14-19-16-10-11-16/h4-6,9,16-17,19H,1-3,7-8,10-14H2
InChIKeyHNAVXDKGQNFHKZ-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.67
Rot. Bonds8

About N-[[2-(2-cyclohexyloxyethoxy)phenyl]methyl]cyclopropanamine

N-[[2-(2-cyclohexyloxyethoxy)phenyl]methyl]cyclopropanamine (PubChem CID 62444426) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[[2-(2-cyclohexyloxyethoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2-cyclohexyloxyethoxy)phenyl]methyl]cyclopropanamine
PubChem CID62444426
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-[[2-(2-cyclohexyloxyethoxy)phenyl]methyl]cyclopropanamine
SMILESc1ccc(OCCOC2CCCCC2)c(CNC2CC2)c1
InChIInChI=1S/C18H27NO2/c1-2-7-17(8-3-1)20-12-13-21-18-9-5-4-6-15(18)14-19-16-10-11-16/h4-6,9,16-17,19H,1-3,7-8,10-14H2
InChIKeyHNAVXDKGQNFHKZ-UHFFFAOYSA-N
XLogP3.67
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.67
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-cyclohexyloxyethoxy)phenyl]methyl]propan-1-amine
CID 62444230
N-[[2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 62443971
N-[(2-ethoxyphenyl)methyl]cyclohexanamine;hydrochloride
CID 6460007
N-[(2-methoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17331524
N-[[2-(2-but-3-enoxyethoxy)phenyl]methyl]cyclopropanamine
CID 62443050
N-[[2-(2-methylsulfonylethoxy)phenyl]methyl]cyclopropanamine
CID 54937034
N-methyl-1-[2-[2-(oxan-4-yloxy)ethoxy]phenyl]methanamine
CID 62440897
N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]cyclopropanamine
CID 43277400
N-[[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 107911041
N-[[2-[2-(2-methylpyrrolidin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 62438792
N-[(2-aminophenyl)methyl]cyclooctanamine
CID 66385631
N-[[2-[2-(1-methylpyrazol-4-yl)oxyethoxy]phenyl]methyl]cyclopropanamine
CID 116793588

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-cyclohexyloxyethoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2-cyclohexyloxyethoxy)phenyl]methyl]cyclopropanamine (CID 62444426) is N-[[2-(2-cyclohexyloxyethoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2-cyclohexyloxyethoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2-cyclohexyloxyethoxy)phenyl]methyl]cyclopropanamine is c1ccc(OCCOC2CCCCC2)c(CNC2CC2)c1.
What is the InChIKey of N-[[2-(2-cyclohexyloxyethoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is HNAVXDKGQNFHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-2-7-17(8-3-1)20-12-13-21-18-9-5-4-6-15(18)14-19-16-10-11-16/h4-6,9,16-17,19H,1-3,7-8,10-14H2.
What are the key properties of N-[[2-(2-cyclohexyloxyethoxy)phenyl]methyl]cyclopropanamine?
N-[[2-(2-cyclohexyloxyethoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 289.42 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-cyclohexyloxyethoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 62444426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).