N-[1-(2-methoxy-3,4-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine

C18H31NO2 — CID 103435172

IUPACN-[1-(2-methoxy-3,4-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine
SMILESCCCNC(COC(C)(C)C)c1ccc(C)c(C)c1OC
InChIInChI=1S/C18H31NO2/c1-8-11-19-16(12-21-18(4,5)6)15-10-9-13(2)14(3)17(15)20-7/h9-10,16,19H,8,11-12H2,1-7H3
InChIKeyWTZKEOKJJGGOQK-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.17
Rot. Bonds7

About N-[1-(2-methoxy-3,4-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine

N-[1-(2-methoxy-3,4-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine (PubChem CID 103435172) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is N-[1-(2-methoxy-3,4-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-methoxy-3,4-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine
PubChem CID103435172
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC NameN-[1-(2-methoxy-3,4-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine
SMILESCCCNC(COC(C)(C)C)c1ccc(C)c(C)c1OC
InChIInChI=1S/C18H31NO2/c1-8-11-19-16(12-21-18(4,5)6)15-10-9-13(2)14(3)17(15)20-7/h9-10,16,19H,8,11-12H2,1-7H3
InChIKeyWTZKEOKJJGGOQK-UHFFFAOYSA-N
XLogP4.17
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methoxy-3,4-dimethylphenyl)-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine
CID 103433571
N-[2-cyclobutyl-1-(2-methoxy-3,4-dimethylphenyl)ethyl]propan-1-amine
CID 103435492
N-[2,2,2-trifluoro-1-(2-methoxy-3,4-dimethylphenyl)ethyl]propan-1-amine
CID 103435635
1-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine
CID 103433382
N-[2,2-difluoro-1-(2-methoxy-3,4-dimethylphenyl)ethyl]propan-1-amine
CID 103517310
N-[2-[(2-methylpropan-2-yl)oxy]-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine
CID 63475624
N-ethyl-1-(2-methoxy-3,4-dimethylphenyl)-3,4,4-trimethylpentan-1-amine
CID 103435385
1-(2-methoxy-3,4-dimethylphenyl)-2-methyl-N-propylpentan-1-amine
CID 103435219
N-[1-(2-methoxy-3,4-dimethylphenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 103433867
N-[(2-methoxy-3,4-dimethylphenyl)-pyridin-4-ylmethyl]propan-1-amine
CID 103433341
N-[1-(4-bromothiophen-3-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine
CID 105166827
N-[(2-methoxy-3,4-dimethylphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine
CID 103435182

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxy-3,4-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine?
The IUPAC name of N-[1-(2-methoxy-3,4-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine (CID 103435172) is N-[1-(2-methoxy-3,4-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-methoxy-3,4-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-methoxy-3,4-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine is CCCNC(COC(C)(C)C)c1ccc(C)c(C)c1OC.
What is the InChIKey of N-[1-(2-methoxy-3,4-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine?
The InChIKey is WTZKEOKJJGGOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-8-11-19-16(12-21-18(4,5)6)15-10-9-13(2)14(3)17(15)20-7/h9-10,16,19H,8,11-12H2,1-7H3.
What are the key properties of N-[1-(2-methoxy-3,4-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine?
N-[1-(2-methoxy-3,4-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxy-3,4-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine is sourced from PubChem (CID 103435172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).