N-[[2-(2,4-dimethoxyphenyl)oxan-3-yl]methyl]cyclopropanamine

C17H25NO3 — CID 79370940

IUPACN-[[2-(2,4-dimethoxyphenyl)oxan-3-yl]methyl]cyclopropanamine
SMILESCOc1ccc(C2OCCCC2CNC2CC2)c(OC)c1
InChIInChI=1S/C17H25NO3/c1-19-14-7-8-15(16(10-14)20-2)17-12(4-3-9-21-17)11-18-13-5-6-13/h7-8,10,12-13,17-18H,3-6,9,11H2,1-2H3
InChIKeyVZAZWFQEEZZLCZ-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.92
Rot. Bonds6

About N-[[2-(2,4-dimethoxyphenyl)oxan-3-yl]methyl]cyclopropanamine

N-[[2-(2,4-dimethoxyphenyl)oxan-3-yl]methyl]cyclopropanamine (PubChem CID 79370940) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[[2-(2,4-dimethoxyphenyl)oxan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2,4-dimethoxyphenyl)oxan-3-yl]methyl]cyclopropanamine
PubChem CID79370940
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-[[2-(2,4-dimethoxyphenyl)oxan-3-yl]methyl]cyclopropanamine
SMILESCOc1ccc(C2OCCCC2CNC2CC2)c(OC)c1
InChIInChI=1S/C17H25NO3/c1-19-14-7-8-15(16(10-14)20-2)17-12(4-3-9-21-17)11-18-13-5-6-13/h7-8,10,12-13,17-18H,3-6,9,11H2,1-2H3
InChIKeyVZAZWFQEEZZLCZ-UHFFFAOYSA-N
XLogP2.92
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2-methoxyphenyl)oxan-3-yl]methyl]cyclopropanamine
CID 79365291
N-[[2-(2,5-dimethoxyphenyl)oxan-3-yl]methyl]ethanamine
CID 79365268
N-[[2-(4-fluoro-2-methylphenyl)oxan-3-yl]methyl]cyclopropanamine
CID 79365930
N-[[2-(2,5-dimethoxyphenyl)cyclopentyl]methyl]cyclopropanamine
CID 81033094
2-(2,5-dimethoxyphenyl)oxan-3-amine
CID 79364595
N-[[2-(3-propoxyphenyl)oxan-3-yl]methyl]cyclopropanamine
CID 79370941
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-(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-(2,4-dimethoxyphenyl)ethyl]cyclopropanamine
CID 62801628
2-(2,4-dimethoxyphenyl)-3-methylmorpholine
CID 82291917

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,4-dimethoxyphenyl)oxan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2,4-dimethoxyphenyl)oxan-3-yl]methyl]cyclopropanamine (CID 79370940) is N-[[2-(2,4-dimethoxyphenyl)oxan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2,4-dimethoxyphenyl)oxan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2,4-dimethoxyphenyl)oxan-3-yl]methyl]cyclopropanamine is COc1ccc(C2OCCCC2CNC2CC2)c(OC)c1.
What is the InChIKey of N-[[2-(2,4-dimethoxyphenyl)oxan-3-yl]methyl]cyclopropanamine?
The InChIKey is VZAZWFQEEZZLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-19-14-7-8-15(16(10-14)20-2)17-12(4-3-9-21-17)11-18-13-5-6-13/h7-8,10,12-13,17-18H,3-6,9,11H2,1-2H3.
What are the key properties of N-[[2-(2,4-dimethoxyphenyl)oxan-3-yl]methyl]cyclopropanamine?
N-[[2-(2,4-dimethoxyphenyl)oxan-3-yl]methyl]cyclopropanamine has a molecular weight of 291.39 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,4-dimethoxyphenyl)oxan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 79370940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).