2-(3,4-dimethoxyphenyl)-N-methyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]ethanamine

C18H26N2O3 — CID 75371373

IUPAC2-(3,4-dimethoxyphenyl)-N-methyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]ethanamine
SMILESCOc1ccc(CCN(C)Cc2ncc(C(C)C)o2)cc1OC
InChIInChI=1S/C18H26N2O3/c1-13(2)17-11-19-18(23-17)12-20(3)9-8-14-6-7-15(21-4)16(10-14)22-5/h6-7,10-11,13H,8-9,12H2,1-5H3
InChIKeyONYWVAWDIWBKNJ-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.49
Rot. Bonds8

About 2-(3,4-dimethoxyphenyl)-N-methyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]ethanamine

2-(3,4-dimethoxyphenyl)-N-methyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]ethanamine (PubChem CID 75371373) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-methyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-methyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]ethanamine
PubChem CID75371373
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name2-(3,4-dimethoxyphenyl)-N-methyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]ethanamine
SMILESCOc1ccc(CCN(C)Cc2ncc(C(C)C)o2)cc1OC
InChIInChI=1S/C18H26N2O3/c1-13(2)17-11-19-18(23-17)12-20(3)9-8-14-6-7-15(21-4)16(10-14)22-5/h6-7,10-11,13H,8-9,12H2,1-5H3
InChIKeyONYWVAWDIWBKNJ-UHFFFAOYSA-N
XLogP3.49
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-ethyl-N-methylethanamine
CID 18789952
3-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N,2-dimethylpropan-1-amine
CID 19926629
2-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]pyrimidin-4-amine
CID 75431201
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)-N-methylethanamine;hydrochloride
CID 3029793
1-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115136241
4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethyl]aniline
CID 10447541
N-[(2,6-dichlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-N-methylethanamine
CID 1376281
2-(3,4-dimethoxyphenyl)-N-methyl-N-(thiophen-3-ylmethyl)ethanamine
CID 23935467
N-(chloromethyl)-2-(4-methoxy-3-propan-2-ylphenyl)-N-methylethanamine
CID 115263486
3-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylprop-2-yn-1-amine
CID 67814076
2-(3,4-dimethoxyphenyl)-N-methyl-N-[(4-nitrophenyl)methyl]ethanamine
CID 2842584
5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile
CID 141355192

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-methyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]ethanamine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-methyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]ethanamine (CID 75371373) is 2-(3,4-dimethoxyphenyl)-N-methyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-methyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-methyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]ethanamine is COc1ccc(CCN(C)Cc2ncc(C(C)C)o2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-methyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]ethanamine?
The InChIKey is ONYWVAWDIWBKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-13(2)17-11-19-18(23-17)12-20(3)9-8-14-6-7-15(21-4)16(10-14)22-5/h6-7,10-11,13H,8-9,12H2,1-5H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-methyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]ethanamine?
2-(3,4-dimethoxyphenyl)-N-methyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]ethanamine has a molecular weight of 318.42 g/mol, XLogP of 3.49, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-methyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 75371373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).