1-(3,4-dimethylphenyl)-2-(2-ethylmorpholin-4-yl)ethanamine

C16H26N2O — CID 43562594

IUPAC1-(3,4-dimethylphenyl)-2-(2-ethylmorpholin-4-yl)ethanamine
SMILESCCC1CN(CC(N)c2ccc(C)c(C)c2)CCO1
InChIInChI=1S/C16H26N2O/c1-4-15-10-18(7-8-19-15)11-16(17)14-6-5-12(2)13(3)9-14/h5-6,9,15-16H,4,7-8,10-11,17H2,1-3H3
InChIKeyATQOPOQYQWRKLZ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.41
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-2-(2-ethylmorpholin-4-yl)ethanamine

1-(3,4-dimethylphenyl)-2-(2-ethylmorpholin-4-yl)ethanamine (PubChem CID 43562594) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-(2-ethylmorpholin-4-yl)ethanamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-(2-ethylmorpholin-4-yl)ethanamine
PubChem CID43562594
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-(3,4-dimethylphenyl)-2-(2-ethylmorpholin-4-yl)ethanamine
SMILESCCC1CN(CC(N)c2ccc(C)c(C)c2)CCO1
InChIInChI=1S/C16H26N2O/c1-4-15-10-18(7-8-19-15)11-16(17)14-6-5-12(2)13(3)9-14/h5-6,9,15-16H,4,7-8,10-11,17H2,1-3H3
InChIKeyATQOPOQYQWRKLZ-UHFFFAOYSA-N
XLogP2.41
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethylmorpholin-4-yl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 43562607
1-(2,4-dimethylphenyl)-2-(2-ethylmorpholin-4-yl)ethanamine
CID 43562608
1-(3,4-dimethylphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine
CID 62988665
2-(2-ethylmorpholin-4-yl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 115291142
(2S)-1-(2-ethylmorpholin-4-yl)propan-2-amine
CID 103934483
1-(3,4-dimethylphenyl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 62200555
3-(2-ethylmorpholin-4-yl)-2-phenylpropan-1-amine
CID 43562330
(1R)-1-(3,4-dimethylphenyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanol
CID 100841952
2-(2-methylmorpholin-4-yl)-1-(3-methylphenyl)ethanamine
CID 61310875
1-(3,4-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 63973652
1-[4-[2-amino-2-(3,4-dimethylphenyl)ethyl]piperazin-1-yl]ethanone
CID 18069751
4-(2-ethylmorpholin-4-yl)-3-methylbutan-1-amine
CID 80544103

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-(2-ethylmorpholin-4-yl)ethanamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-(2-ethylmorpholin-4-yl)ethanamine (CID 43562594) is 1-(3,4-dimethylphenyl)-2-(2-ethylmorpholin-4-yl)ethanamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-(2-ethylmorpholin-4-yl)ethanamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-(2-ethylmorpholin-4-yl)ethanamine is CCC1CN(CC(N)c2ccc(C)c(C)c2)CCO1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-(2-ethylmorpholin-4-yl)ethanamine?
The InChIKey is ATQOPOQYQWRKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-15-10-18(7-8-19-15)11-16(17)14-6-5-12(2)13(3)9-14/h5-6,9,15-16H,4,7-8,10-11,17H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2-(2-ethylmorpholin-4-yl)ethanamine?
1-(3,4-dimethylphenyl)-2-(2-ethylmorpholin-4-yl)ethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2-(2-ethylmorpholin-4-yl)ethanamine is sourced from PubChem (CID 43562594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).