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

C18H27NO2 — CID 79370941

IUPACN-[[2-(3-propoxyphenyl)oxan-3-yl]methyl]cyclopropanamine
SMILESCCCOc1cccc(C2OCCCC2CNC2CC2)c1
InChIInChI=1S/C18H27NO2/c1-2-10-20-17-7-3-5-14(12-17)18-15(6-4-11-21-18)13-19-16-8-9-16/h3,5,7,12,15-16,18-19H,2,4,6,8-11,13H2,1H3
InChIKeyUNQZEEQTLFNLRT-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.70
Rot. Bonds7

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

N-[[2-(3-propoxyphenyl)oxan-3-yl]methyl]cyclopropanamine (PubChem CID 79370941) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[[2-(3-propoxyphenyl)oxan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3-propoxyphenyl)oxan-3-yl]methyl]cyclopropanamine
PubChem CID79370941
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-[[2-(3-propoxyphenyl)oxan-3-yl]methyl]cyclopropanamine
SMILESCCCOc1cccc(C2OCCCC2CNC2CC2)c1
InChIInChI=1S/C18H27NO2/c1-2-10-20-17-7-3-5-14(12-17)18-15(6-4-11-21-18)13-19-16-8-9-16/h3,5,7,12,15-16,18-19H,2,4,6,8-11,13H2,1H3
InChIKeyUNQZEEQTLFNLRT-UHFFFAOYSA-N
XLogP3.70
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-propoxyphenyl)oxan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3-propoxyphenyl)oxan-3-yl]methyl]cyclopropanamine (CID 79370941) is N-[[2-(3-propoxyphenyl)oxan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3-propoxyphenyl)oxan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3-propoxyphenyl)oxan-3-yl]methyl]cyclopropanamine is CCCOc1cccc(C2OCCCC2CNC2CC2)c1.
What is the InChIKey of N-[[2-(3-propoxyphenyl)oxan-3-yl]methyl]cyclopropanamine?
The InChIKey is UNQZEEQTLFNLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-2-10-20-17-7-3-5-14(12-17)18-15(6-4-11-21-18)13-19-16-8-9-16/h3,5,7,12,15-16,18-19H,2,4,6,8-11,13H2,1H3.
What are the key properties of N-[[2-(3-propoxyphenyl)oxan-3-yl]methyl]cyclopropanamine?
N-[[2-(3-propoxyphenyl)oxan-3-yl]methyl]cyclopropanamine has a molecular weight of 289.42 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-propoxyphenyl)oxan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 79370941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).