N-[[2-(2-methoxyphenyl)oxan-3-yl]methyl]cyclopropanamine

C16H23NO2 — CID 79365291

IUPACN-[[2-(2-methoxyphenyl)oxan-3-yl]methyl]cyclopropanamine
SMILESCOc1ccccc1C1OCCCC1CNC1CC1
InChIInChI=1S/C16H23NO2/c1-18-15-7-3-2-6-14(15)16-12(5-4-10-19-16)11-17-13-8-9-13/h2-3,6-7,12-13,16-17H,4-5,8-11H2,1H3
InChIKeyJJFNYIHVNNFCMO-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.91
Rot. Bonds5

About N-[[2-(2-methoxyphenyl)oxan-3-yl]methyl]cyclopropanamine

N-[[2-(2-methoxyphenyl)oxan-3-yl]methyl]cyclopropanamine (PubChem CID 79365291) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[[2-(2-methoxyphenyl)oxan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2-methoxyphenyl)oxan-3-yl]methyl]cyclopropanamine
PubChem CID79365291
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-[[2-(2-methoxyphenyl)oxan-3-yl]methyl]cyclopropanamine
SMILESCOc1ccccc1C1OCCCC1CNC1CC1
InChIInChI=1S/C16H23NO2/c1-18-15-7-3-2-6-14(15)16-12(5-4-10-19-16)11-17-13-8-9-13/h2-3,6-7,12-13,16-17H,4-5,8-11H2,1H3
InChIKeyJJFNYIHVNNFCMO-UHFFFAOYSA-N
XLogP2.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2,4-dimethoxyphenyl)oxan-3-yl]methyl]cyclopropanamine
CID 79370940
N-[[2-(4-fluoro-2-methylphenyl)oxan-3-yl]methyl]cyclopropanamine
CID 79365930
N-[[2-(6-methoxy-3-pyridinyl)oxan-3-yl]methyl]cyclopropanamine
CID 114938990
N-[(2-quinolin-8-yloxan-3-yl)methyl]cyclopropanamine
CID 79370953
N-[[2-(2,5-dimethoxyphenyl)oxan-3-yl]methyl]ethanamine
CID 79365268
N-[[2-(4-propan-2-ylphenyl)oxan-3-yl]methyl]cyclopropanamine
CID 79365200
N-[[2-(5-bromo-2-methoxyphenyl)oxan-3-yl]methyl]ethanamine
CID 79364998
N-[[2-(5-ethylthiophen-2-yl)oxan-3-yl]methyl]cyclopropanamine
CID 79365839
(2S,3R)-2-(2-methoxyphenyl)-3-phenylselanyloxane
CID 134882559
N-[[2-[2-(methoxymethyl)phenyl]oxan-3-yl]methyl]propan-2-amine
CID 79366010
N-[[2-[2-(methoxymethyl)phenyl]oxan-3-yl]methyl]-2-methylpropan-2-amine
CID 79371163
N-[[2-(3-propoxyphenyl)oxan-3-yl]methyl]cyclopropanamine
CID 79370941

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methoxyphenyl)oxan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2-methoxyphenyl)oxan-3-yl]methyl]cyclopropanamine (CID 79365291) is N-[[2-(2-methoxyphenyl)oxan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2-methoxyphenyl)oxan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2-methoxyphenyl)oxan-3-yl]methyl]cyclopropanamine is COc1ccccc1C1OCCCC1CNC1CC1.
What is the InChIKey of N-[[2-(2-methoxyphenyl)oxan-3-yl]methyl]cyclopropanamine?
The InChIKey is JJFNYIHVNNFCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-18-15-7-3-2-6-14(15)16-12(5-4-10-19-16)11-17-13-8-9-13/h2-3,6-7,12-13,16-17H,4-5,8-11H2,1H3.
What are the key properties of N-[[2-(2-methoxyphenyl)oxan-3-yl]methyl]cyclopropanamine?
N-[[2-(2-methoxyphenyl)oxan-3-yl]methyl]cyclopropanamine has a molecular weight of 261.37 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methoxyphenyl)oxan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 79365291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).