1-(2,5-dimethoxyphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine

C17H27NO3 — CID 63953131

IUPAC1-(2,5-dimethoxyphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
SMILESCNC(CCC1CCCCO1)c1cc(OC)ccc1OC
InChIInChI=1S/C17H27NO3/c1-18-16(9-7-13-6-4-5-11-21-13)15-12-14(19-2)8-10-17(15)20-3/h8,10,12-13,16,18H,4-7,9,11H2,1-3H3
InChIKeyRBYMXHFPXMSOKL-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.31
Rot. Bonds7

About 1-(2,5-dimethoxyphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine

1-(2,5-dimethoxyphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine (PubChem CID 63953131) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
PubChem CID63953131
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name1-(2,5-dimethoxyphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
SMILESCNC(CCC1CCCCO1)c1cc(OC)ccc1OC
InChIInChI=1S/C17H27NO3/c1-18-16(9-7-13-6-4-5-11-21-13)15-12-14(19-2)8-10-17(15)20-3/h8,10,12-13,16,18H,4-7,9,11H2,1-3H3
InChIKeyRBYMXHFPXMSOKL-UHFFFAOYSA-N
XLogP3.31
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromo-4-methoxyphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65156141
1-(4-bromo-2,5-dimethoxyphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 105056695
1-(5-bromo-4-fluoro-2-methoxyphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 103394522
1-(2-fluoro-4-methoxyphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 81304740
1-(2-bromo-4,5-dimethoxyphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65156118
1-(2-methoxy-5-methylphenyl)-3-(oxan-2-yl)propan-1-amine
CID 63950936
[1-(2-fluoro-4-methoxyphenyl)-3-(oxan-2-yl)propyl]hydrazine
CID 103397792
1-(5-bromo-2-methoxyphenyl)-3-(oxan-2-yl)propan-1-amine
CID 63953943
1-(2-fluorophenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 115828162
N-methyl-3-(oxan-2-yl)-1-(4-propan-2-yloxyphenyl)propan-1-amine
CID 63951733
1-(5-bromo-2-ethoxyphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65156172
2-[3-bromo-3-(4-methoxyphenyl)propyl]oxane
CID 63953795

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine (CID 63953131) is 1-(2,5-dimethoxyphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine is CNC(CCC1CCCCO1)c1cc(OC)ccc1OC.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine?
The InChIKey is RBYMXHFPXMSOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-18-16(9-7-13-6-4-5-11-21-13)15-12-14(19-2)8-10-17(15)20-3/h8,10,12-13,16,18H,4-7,9,11H2,1-3H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine?
1-(2,5-dimethoxyphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine has a molecular weight of 293.41 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine is sourced from PubChem (CID 63953131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).