N-[(3,4-dimethylphenyl)methyl]-2-morpholin-4-yl-2-phenylethanamine

C21H28N2O — CID 78849561

IUPACN-[(3,4-dimethylphenyl)methyl]-2-morpholin-4-yl-2-phenylethanamine
SMILESCc1ccc(CNCC(c2ccccc2)N2CCOCC2)cc1C
InChIInChI=1S/C21H28N2O/c1-17-8-9-19(14-18(17)2)15-22-16-21(20-6-4-3-5-7-20)23-10-12-24-13-11-23/h3-9,14,21-22H,10-13,15-16H2,1-2H3
InChIKeyIFBHHZTVUVIRDK-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.47
Rot. Bonds6

About N-[(3,4-dimethylphenyl)methyl]-2-morpholin-4-yl-2-phenylethanamine

N-[(3,4-dimethylphenyl)methyl]-2-morpholin-4-yl-2-phenylethanamine (PubChem CID 78849561) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)methyl]-2-morpholin-4-yl-2-phenylethanamine.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)methyl]-2-morpholin-4-yl-2-phenylethanamine
PubChem CID78849561
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC NameN-[(3,4-dimethylphenyl)methyl]-2-morpholin-4-yl-2-phenylethanamine
SMILESCc1ccc(CNCC(c2ccccc2)N2CCOCC2)cc1C
InChIInChI=1S/C21H28N2O/c1-17-8-9-19(14-18(17)2)15-22-16-21(20-6-4-3-5-7-20)23-10-12-24-13-11-23/h3-9,14,21-22H,10-13,15-16H2,1-2H3
InChIKeyIFBHHZTVUVIRDK-UHFFFAOYSA-N
XLogP3.47
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-morpholin-4-yl-2-phenylethanamine;molecular hydrogen
CID 144767437
N-[(3-fluoro-4-methylphenyl)methyl]-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethanamine
CID 119126597
N-[(4-ethylphenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine
CID 60590041
4-[3-[[(2-morpholin-4-yl-2-phenylethyl)amino]methyl]phenoxy]butanenitrile
CID 119108874
3-[[[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]methyl]benzonitrile
CID 38071417
3-[[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]methyl]benzonitrile
CID 47030764
5-[[[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]-2-methoxyphenol
CID 119123506
1-(3-fluoro-4-methylphenyl)-2-[(2-morpholin-4-yl-2-phenylethyl)amino]ethanone
CID 110830524
3-[[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]methyl]phenol
CID 82045257
2-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 18161625
3-[[[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]methyl]benzonitrile
CID 94182908
N-[(3,4-dimethylphenyl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 54899736

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)methyl]-2-morpholin-4-yl-2-phenylethanamine?
The IUPAC name of N-[(3,4-dimethylphenyl)methyl]-2-morpholin-4-yl-2-phenylethanamine (CID 78849561) is N-[(3,4-dimethylphenyl)methyl]-2-morpholin-4-yl-2-phenylethanamine.
What is the SMILES notation for N-[(3,4-dimethylphenyl)methyl]-2-morpholin-4-yl-2-phenylethanamine?
The canonical SMILES for N-[(3,4-dimethylphenyl)methyl]-2-morpholin-4-yl-2-phenylethanamine is Cc1ccc(CNCC(c2ccccc2)N2CCOCC2)cc1C.
What is the InChIKey of N-[(3,4-dimethylphenyl)methyl]-2-morpholin-4-yl-2-phenylethanamine?
The InChIKey is IFBHHZTVUVIRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-17-8-9-19(14-18(17)2)15-22-16-21(20-6-4-3-5-7-20)23-10-12-24-13-11-23/h3-9,14,21-22H,10-13,15-16H2,1-2H3.
What are the key properties of N-[(3,4-dimethylphenyl)methyl]-2-morpholin-4-yl-2-phenylethanamine?
N-[(3,4-dimethylphenyl)methyl]-2-morpholin-4-yl-2-phenylethanamine has a molecular weight of 324.47 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)methyl]-2-morpholin-4-yl-2-phenylethanamine is sourced from PubChem (CID 78849561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).