2-(2,4-dimethylphenyl)-N-(morpholin-3-ylmethyl)ethanamine

C15H24N2O — CID 115238123

IUPAC2-(2,4-dimethylphenyl)-N-(morpholin-3-ylmethyl)ethanamine
SMILESCc1ccc(CCNCC2COCCN2)c(C)c1
InChIInChI=1S/C15H24N2O/c1-12-3-4-14(13(2)9-12)5-6-16-10-15-11-18-8-7-17-15/h3-4,9,15-17H,5-8,10-11H2,1-2H3
InChIKeyNEPWYKNVNIYLRZ-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.42
Rot. Bonds5

About 2-(2,4-dimethylphenyl)-N-(morpholin-3-ylmethyl)ethanamine

2-(2,4-dimethylphenyl)-N-(morpholin-3-ylmethyl)ethanamine (PubChem CID 115238123) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-N-(morpholin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-N-(morpholin-3-ylmethyl)ethanamine
PubChem CID115238123
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-(2,4-dimethylphenyl)-N-(morpholin-3-ylmethyl)ethanamine
SMILESCc1ccc(CCNCC2COCCN2)c(C)c1
InChIInChI=1S/C15H24N2O/c1-12-3-4-14(13(2)9-12)5-6-16-10-15-11-18-8-7-17-15/h3-4,9,15-17H,5-8,10-11H2,1-2H3
InChIKeyNEPWYKNVNIYLRZ-UHFFFAOYSA-N
XLogP1.42
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(morpholin-3-ylmethyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 115238131
2-(4-fluoro-3-methylphenyl)-N-(morpholin-3-ylmethyl)ethanamine
CID 115238118
2-(2,5-dimethylphenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 115209373
N-[(2-methoxy-3,5-dimethylphenyl)methyl]-1-morpholin-3-ylmethanamine
CID 115238028
2-(3-methoxyphenyl)-N-(morpholin-3-ylmethyl)ethanamine
CID 115238155
N-(morpholin-3-ylmethyl)-2-pyridin-3-ylethanamine
CID 115238152
N-[(2,4-dimethylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208233
N-[(3-methylphenyl)methyl]-2-morpholin-3-ylethanamine
CID 115238968
3-[(4-chloro-2-methylphenyl)methyl]morpholine
CID 82287728
3-[(4-tert-butyl-2-methylphenyl)methyl]morpholine
CID 116927963
2-(2,4-dimethylphenyl)-N-ethylethanamine
CID 62801673
1-morpholin-3-yl-N-[(4-propylphenyl)methyl]methanamine
CID 115238003

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-N-(morpholin-3-ylmethyl)ethanamine?
The IUPAC name of 2-(2,4-dimethylphenyl)-N-(morpholin-3-ylmethyl)ethanamine (CID 115238123) is 2-(2,4-dimethylphenyl)-N-(morpholin-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-N-(morpholin-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(2,4-dimethylphenyl)-N-(morpholin-3-ylmethyl)ethanamine is Cc1ccc(CCNCC2COCCN2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-N-(morpholin-3-ylmethyl)ethanamine?
The InChIKey is NEPWYKNVNIYLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12-3-4-14(13(2)9-12)5-6-16-10-15-11-18-8-7-17-15/h3-4,9,15-17H,5-8,10-11H2,1-2H3.
What are the key properties of 2-(2,4-dimethylphenyl)-N-(morpholin-3-ylmethyl)ethanamine?
2-(2,4-dimethylphenyl)-N-(morpholin-3-ylmethyl)ethanamine has a molecular weight of 248.37 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-N-(morpholin-3-ylmethyl)ethanamine is sourced from PubChem (CID 115238123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).