4-[[[(1R)-1,2-diphenylethyl]amino]methyl]-1-methylpyridin-2-one

C21H22N2O — CID 94402617

IUPAC4-[[[(1R)-1,2-diphenylethyl]amino]methyl]-1-methylpyridin-2-one
SMILESCn1ccc(CN[C@H](Cc2ccccc2)c2ccccc2)cc1=O
InChIInChI=1S/C21H22N2O/c1-23-13-12-18(15-21(23)24)16-22-20(19-10-6-3-7-11-19)14-17-8-4-2-5-9-17/h2-13,15,20,22H,14,16H2,1H3/t20-/m1/s1
InChIKeyDLVUXMUZYDZBHJ-HXUWFJFHSA-N
MW318.42 g/mol
LogP3.46
Rot. Bonds6

About 4-[[[(1R)-1,2-diphenylethyl]amino]methyl]-1-methylpyridin-2-one

4-[[[(1R)-1,2-diphenylethyl]amino]methyl]-1-methylpyridin-2-one (PubChem CID 94402617) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-[[[(1R)-1,2-diphenylethyl]amino]methyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[[[(1R)-1,2-diphenylethyl]amino]methyl]-1-methylpyridin-2-one
PubChem CID94402617
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name4-[[[(1R)-1,2-diphenylethyl]amino]methyl]-1-methylpyridin-2-one
SMILESCn1ccc(CN[C@H](Cc2ccccc2)c2ccccc2)cc1=O
InChIInChI=1S/C21H22N2O/c1-23-13-12-18(15-21(23)24)16-22-20(19-10-6-3-7-11-19)14-17-8-4-2-5-9-17/h2-13,15,20,22H,14,16H2,1H3/t20-/m1/s1
InChIKeyDLVUXMUZYDZBHJ-HXUWFJFHSA-N
XLogP3.46
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-ditert-butylphenyl)methyl]-1,2-diphenylethanamine
CID 145004307
2-[[[(1S)-1,2-diphenylethyl]amino]methyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 51644842
N-[(1S)-1,2-diphenylethyl]propan-1-amine
CID 36689865
N-[(1R)-1,2-diphenylethyl]-2-methylpropan-1-amine
CID 40561608
1-(1,2-diphenylethyl)-3-methylurea
CID 23548551
(3R)-3-(benzylamino)-3-phenylpropanoic acid
CID 753607
4-[(1,2-diphenylethylamino)methyl]-N,N,6-trimethylpyrimidin-2-amine
CID 119045940
1,3-dimethyl-5-[[[(1S)-1-phenylbutyl]amino]methyl]benzimidazol-2-one
CID 41494700
N-(1,2-diphenylethyl)-2-methylsulfinylpropan-1-amine
CID 115896303
1,2-diphenyl-N-(thiophen-2-ylmethyl)ethanamine
CID 43079612
N-(2-ethoxyethyl)-1,2-diphenylethanamine
CID 43403746
1,2-diphenyl-N-(2-propan-2-yloxyethyl)ethanamine
CID 78826333

Frequently Asked Questions

What is the IUPAC name of 4-[[[(1R)-1,2-diphenylethyl]amino]methyl]-1-methylpyridin-2-one?
The IUPAC name of 4-[[[(1R)-1,2-diphenylethyl]amino]methyl]-1-methylpyridin-2-one (CID 94402617) is 4-[[[(1R)-1,2-diphenylethyl]amino]methyl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[[[(1R)-1,2-diphenylethyl]amino]methyl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[[[(1R)-1,2-diphenylethyl]amino]methyl]-1-methylpyridin-2-one is Cn1ccc(CN[C@H](Cc2ccccc2)c2ccccc2)cc1=O.
What is the InChIKey of 4-[[[(1R)-1,2-diphenylethyl]amino]methyl]-1-methylpyridin-2-one?
The InChIKey is DLVUXMUZYDZBHJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H22N2O/c1-23-13-12-18(15-21(23)24)16-22-20(19-10-6-3-7-11-19)14-17-8-4-2-5-9-17/h2-13,15,20,22H,14,16H2,1H3/t20-/m1/s1.
What are the key properties of 4-[[[(1R)-1,2-diphenylethyl]amino]methyl]-1-methylpyridin-2-one?
4-[[[(1R)-1,2-diphenylethyl]amino]methyl]-1-methylpyridin-2-one has a molecular weight of 318.42 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(1R)-1,2-diphenylethyl]amino]methyl]-1-methylpyridin-2-one is sourced from PubChem (CID 94402617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).