2-(2-methylmorpholin-4-yl)-1-(3-methylphenyl)ethanamine

C14H22N2O — CID 61310875

IUPAC2-(2-methylmorpholin-4-yl)-1-(3-methylphenyl)ethanamine
SMILESCc1cccc(C(N)CN2CCOC(C)C2)c1
InChIInChI=1S/C14H22N2O/c1-11-4-3-5-13(8-11)14(15)10-16-6-7-17-12(2)9-16/h3-5,8,12,14H,6-7,9-10,15H2,1-2H3
InChIKeyPEYGPOVQUVXGJA-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.72
Rot. Bonds3

About 2-(2-methylmorpholin-4-yl)-1-(3-methylphenyl)ethanamine

2-(2-methylmorpholin-4-yl)-1-(3-methylphenyl)ethanamine (PubChem CID 61310875) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(2-methylmorpholin-4-yl)-1-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-methylmorpholin-4-yl)-1-(3-methylphenyl)ethanamine
PubChem CID61310875
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(2-methylmorpholin-4-yl)-1-(3-methylphenyl)ethanamine
SMILESCc1cccc(C(N)CN2CCOC(C)C2)c1
InChIInChI=1S/C14H22N2O/c1-11-4-3-5-13(8-11)14(15)10-16-6-7-17-12(2)9-16/h3-5,8,12,14H,6-7,9-10,15H2,1-2H3
InChIKeyPEYGPOVQUVXGJA-UHFFFAOYSA-N
XLogP1.72
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dimethylmorpholin-4-yl)-1-(3-methylphenyl)ethanamine
CID 61310482
2-(2-methyl-1,4-oxazepan-4-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 62986559
1-(3,4-dimethylphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine
CID 62988665
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3-methylphenyl)propan-1-amine
CID 104960603
1-(3,4-dimethylphenyl)-2-(2-ethylmorpholin-4-yl)ethanamine
CID 43562594
2-methyl-4-[2-(3-methylphenoxy)ethyl]morpholine
CID 134055131
1-(2,4-dimethoxyphenyl)-2-(2-methylmorpholin-4-yl)ethanamine
CID 16786884
(1R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-phenylethanamine
CID 30072743
(2S)-3-methyl-1-[(2S)-2-methylmorpholin-4-yl]butan-2-amine
CID 28597475
4-(2-methyl-1,4-oxazepan-4-yl)-1-phenylbutan-1-amine
CID 55205489
1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65167390
1-(2,4-dimethylphenyl)-2-(2-ethylmorpholin-4-yl)ethanamine
CID 43562608

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylmorpholin-4-yl)-1-(3-methylphenyl)ethanamine?
The IUPAC name of 2-(2-methylmorpholin-4-yl)-1-(3-methylphenyl)ethanamine (CID 61310875) is 2-(2-methylmorpholin-4-yl)-1-(3-methylphenyl)ethanamine.
What is the SMILES notation for 2-(2-methylmorpholin-4-yl)-1-(3-methylphenyl)ethanamine?
The canonical SMILES for 2-(2-methylmorpholin-4-yl)-1-(3-methylphenyl)ethanamine is Cc1cccc(C(N)CN2CCOC(C)C2)c1.
What is the InChIKey of 2-(2-methylmorpholin-4-yl)-1-(3-methylphenyl)ethanamine?
The InChIKey is PEYGPOVQUVXGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-4-3-5-13(8-11)14(15)10-16-6-7-17-12(2)9-16/h3-5,8,12,14H,6-7,9-10,15H2,1-2H3.
What are the key properties of 2-(2-methylmorpholin-4-yl)-1-(3-methylphenyl)ethanamine?
2-(2-methylmorpholin-4-yl)-1-(3-methylphenyl)ethanamine has a molecular weight of 234.34 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylmorpholin-4-yl)-1-(3-methylphenyl)ethanamine is sourced from PubChem (CID 61310875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).