N-[[2-(oxolan-3-yloxy)phenyl]methyl]cyclopropanamine

C14H19NO2 — CID 63558326

IUPACN-[[2-(oxolan-3-yloxy)phenyl]methyl]cyclopropanamine
SMILESc1ccc(OC2CCOC2)c(CNC2CC2)c1
InChIInChI=1S/C14H19NO2/c1-2-4-14(17-13-7-8-16-10-13)11(3-1)9-15-12-5-6-12/h1-4,12-13,15H,5-10H2
InChIKeyRUUZYEBYVXIKLX-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.11
Rot. Bonds5

About N-[[2-(oxolan-3-yloxy)phenyl]methyl]cyclopropanamine

N-[[2-(oxolan-3-yloxy)phenyl]methyl]cyclopropanamine (PubChem CID 63558326) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[[2-(oxolan-3-yloxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(oxolan-3-yloxy)phenyl]methyl]cyclopropanamine
PubChem CID63558326
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-[[2-(oxolan-3-yloxy)phenyl]methyl]cyclopropanamine
SMILESc1ccc(OC2CCOC2)c(CNC2CC2)c1
InChIInChI=1S/C14H19NO2/c1-2-4-14(17-13-7-8-16-10-13)11(3-1)9-15-12-5-6-12/h1-4,12-13,15H,5-10H2
InChIKeyRUUZYEBYVXIKLX-UHFFFAOYSA-N
XLogP2.11
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(chloromethyl)phenoxy]oxane
CID 107135119
2-[2-(oxolan-3-yloxy)phenyl]acetic acid
CID 80741380
4-[(2-cyclobutyloxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 122031371
3-[2-(oxan-3-yloxy)phenyl]propanal
CID 117340444
N-[4-[(2-cyclobutyloxyphenyl)methylamino]cyclohexyl]acetamide
CID 99634765
4-[(2-cyclopentyloxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509881
N-[[2-(oxetan-3-yloxy)phenyl]methyl]hydroxylamine
CID 83484576
(3S)-3-(2-methoxyphenoxy)oxolane
CID 141103497
N-[[3-fluoro-2-(oxan-4-yloxy)phenyl]methyl]cyclopropanamine
CID 112609785
2-[2-[(oxan-4-ylamino)methyl]phenoxy]acetonitrile
CID 43778465
1-[[2-(oxan-3-yloxy)phenyl]methyl]cyclopropan-1-ol
CID 117374038
2-amino-3-[2-(oxolan-3-yloxy)phenyl]propanoic acid
CID 115005094

Frequently Asked Questions

What is the IUPAC name of N-[[2-(oxolan-3-yloxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(oxolan-3-yloxy)phenyl]methyl]cyclopropanamine (CID 63558326) is N-[[2-(oxolan-3-yloxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(oxolan-3-yloxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(oxolan-3-yloxy)phenyl]methyl]cyclopropanamine is c1ccc(OC2CCOC2)c(CNC2CC2)c1.
What is the InChIKey of N-[[2-(oxolan-3-yloxy)phenyl]methyl]cyclopropanamine?
The InChIKey is RUUZYEBYVXIKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-4-14(17-13-7-8-16-10-13)11(3-1)9-15-12-5-6-12/h1-4,12-13,15H,5-10H2.
What are the key properties of N-[[2-(oxolan-3-yloxy)phenyl]methyl]cyclopropanamine?
N-[[2-(oxolan-3-yloxy)phenyl]methyl]cyclopropanamine has a molecular weight of 233.31 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(oxolan-3-yloxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 63558326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).