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

C18H29NO2 — CID 103433867

IUPACN-[1-(2-methoxy-3,4-dimethylphenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCOC1)c1ccc(C)c(C)c1OC
InChIInChI=1S/C18H29NO2/c1-5-9-19-17(11-15-8-10-21-12-15)16-7-6-13(2)14(3)18(16)20-4/h6-7,15,17,19H,5,8-12H2,1-4H3
InChIKeyWQODMUVIPLLGPF-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.78
Rot. Bonds7

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

N-[1-(2-methoxy-3,4-dimethylphenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine (PubChem CID 103433867) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[1-(2-methoxy-3,4-dimethylphenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-methoxy-3,4-dimethylphenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine
PubChem CID103433867
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[1-(2-methoxy-3,4-dimethylphenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCOC1)c1ccc(C)c(C)c1OC
InChIInChI=1S/C18H29NO2/c1-5-9-19-17(11-15-8-10-21-12-15)16-7-6-13(2)14(3)18(16)20-4/h6-7,15,17,19H,5,8-12H2,1-4H3
InChIKeyWQODMUVIPLLGPF-UHFFFAOYSA-N
XLogP3.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-cyclobutyl-1-(2-methoxy-3,4-dimethylphenyl)ethyl]propan-1-amine
CID 103435492
N-[1-(2,5-dimethylphenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 103987411
N-[1-(2-methoxyphenyl)-2-(oxan-4-yl)ethyl]propan-1-amine
CID 62608474
N-[2-(oxolan-3-yl)-1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 103987493
N-[1-(furan-2-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 103987494
N-[1-(4-ethylphenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 103987410
N-[1-(4-fluoro-2-methylphenyl)-2-(oxan-4-yl)ethyl]propan-1-amine
CID 81276755
N-[1-(5-bromo-2-fluorophenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 103987477
N-[1-(2-methoxy-3,4-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine
CID 103435172
1-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine
CID 103433382
N-[1-(2-methoxy-3,4-dimethylphenyl)-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine
CID 103433571
N-[1-(2,3-dihydrofuran-5-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 102652133

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxy-3,4-dimethylphenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2-methoxy-3,4-dimethylphenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine (CID 103433867) is N-[1-(2-methoxy-3,4-dimethylphenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-methoxy-3,4-dimethylphenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-methoxy-3,4-dimethylphenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine is CCCNC(CC1CCOC1)c1ccc(C)c(C)c1OC.
What is the InChIKey of N-[1-(2-methoxy-3,4-dimethylphenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine?
The InChIKey is WQODMUVIPLLGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-5-9-19-17(11-15-8-10-21-12-15)16-7-6-13(2)14(3)18(16)20-4/h6-7,15,17,19H,5,8-12H2,1-4H3.
What are the key properties of N-[1-(2-methoxy-3,4-dimethylphenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine?
N-[1-(2-methoxy-3,4-dimethylphenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 3.78, 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-(oxolan-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 103433867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).