1-(3-chlorophenyl)-2-[methyl-[(3-methylphenyl)methyl]amino]propan-1-one

C18H20ClNO — CID 62031336

IUPAC1-(3-chlorophenyl)-2-[methyl-[(3-methylphenyl)methyl]amino]propan-1-one
SMILESCc1cccc(CN(C)C(C)C(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C18H20ClNO/c1-13-6-4-7-15(10-13)12-20(3)14(2)18(21)16-8-5-9-17(19)11-16/h4-11,14H,12H2,1-3H3
InChIKeyMUOLLNHCGFQQKD-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.35
Rot. Bonds5

About 1-(3-chlorophenyl)-2-[methyl-[(3-methylphenyl)methyl]amino]propan-1-one

1-(3-chlorophenyl)-2-[methyl-[(3-methylphenyl)methyl]amino]propan-1-one (PubChem CID 62031336) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-[methyl-[(3-methylphenyl)methyl]amino]propan-1-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-[methyl-[(3-methylphenyl)methyl]amino]propan-1-one
PubChem CID62031336
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name1-(3-chlorophenyl)-2-[methyl-[(3-methylphenyl)methyl]amino]propan-1-one
SMILESCc1cccc(CN(C)C(C)C(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C18H20ClNO/c1-13-6-4-7-15(10-13)12-20(3)14(2)18(21)16-8-5-9-17(19)11-16/h4-11,14H,12H2,1-3H3
InChIKeyMUOLLNHCGFQQKD-UHFFFAOYSA-N
XLogP4.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[benzyl(methyl)amino]-1-(3-chlorophenyl)propan-1-one
CID 62050558
2-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(3-chlorophenyl)propan-1-one
CID 62052677
1-(3-chlorophenyl)-2-[(3-methylphenyl)methylsulfinyl]propan-1-one
CID 64635129
3-[[1-(3-chlorophenyl)-1-oxopropan-2-yl]-methylamino]propanenitrile
CID 62050758
2-[(3-chlorophenyl)methyl-methylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 18094062
(2R)-2-[tert-butyl(methyl)amino]-1-(3-chlorophenyl)propan-1-one
CID 102183228
2-[[1-(3-chlorophenyl)-1-oxopropan-2-yl]-methylamino]-N-propylacetamide
CID 62037610
1-(3-chlorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]propan-1-one
CID 62037712
1-(3-chlorophenyl)-3-(3-methylphenyl)propan-1-one
CID 24725678
formaldehyde;N-methyl-N-[(3-methylphenyl)methyl]propan-2-amine
CID 143158010
1-(3-chlorophenyl)-3-(dimethylamino)-2-methylpropan-1-one
CID 11747400
[1-(3-chlorophenyl)-1-oxopropan-2-yl] 2-hydroxy-5-methylbenzoate
CID 16572837

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-[methyl-[(3-methylphenyl)methyl]amino]propan-1-one?
The IUPAC name of 1-(3-chlorophenyl)-2-[methyl-[(3-methylphenyl)methyl]amino]propan-1-one (CID 62031336) is 1-(3-chlorophenyl)-2-[methyl-[(3-methylphenyl)methyl]amino]propan-1-one.
What is the SMILES notation for 1-(3-chlorophenyl)-2-[methyl-[(3-methylphenyl)methyl]amino]propan-1-one?
The canonical SMILES for 1-(3-chlorophenyl)-2-[methyl-[(3-methylphenyl)methyl]amino]propan-1-one is Cc1cccc(CN(C)C(C)C(=O)c2cccc(Cl)c2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-[methyl-[(3-methylphenyl)methyl]amino]propan-1-one?
The InChIKey is MUOLLNHCGFQQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c1-13-6-4-7-15(10-13)12-20(3)14(2)18(21)16-8-5-9-17(19)11-16/h4-11,14H,12H2,1-3H3.
What are the key properties of 1-(3-chlorophenyl)-2-[methyl-[(3-methylphenyl)methyl]amino]propan-1-one?
1-(3-chlorophenyl)-2-[methyl-[(3-methylphenyl)methyl]amino]propan-1-one has a molecular weight of 301.82 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-[methyl-[(3-methylphenyl)methyl]amino]propan-1-one is sourced from PubChem (CID 62031336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).