2-[cyclopropylmethyl(ethyl)amino]-1-(2,4-dichlorophenyl)propan-1-one

C15H19Cl2NO — CID 63957045

IUPAC2-[cyclopropylmethyl(ethyl)amino]-1-(2,4-dichlorophenyl)propan-1-one
SMILESCCN(CC1CC1)C(C)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H19Cl2NO/c1-3-18(9-11-4-5-11)10(2)15(19)13-7-6-12(16)8-14(13)17/h6-8,10-11H,3-5,9H2,1-2H3
InChIKeyFQMANTQAVIIDOF-UHFFFAOYSA-N
MW300.23 g/mol
LogP4.30
Rot. Bonds6

About 2-[cyclopropylmethyl(ethyl)amino]-1-(2,4-dichlorophenyl)propan-1-one

2-[cyclopropylmethyl(ethyl)amino]-1-(2,4-dichlorophenyl)propan-1-one (PubChem CID 63957045) has the molecular formula C15H19Cl2NO and a molecular weight of 300.23 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(ethyl)amino]-1-(2,4-dichlorophenyl)propan-1-one.

Molecular Properties

Compound Name2-[cyclopropylmethyl(ethyl)amino]-1-(2,4-dichlorophenyl)propan-1-one
PubChem CID63957045
Molecular FormulaC15H19Cl2NO
Molecular Weight300.23 g/mol
Exact Mass299.08
IUPAC Name2-[cyclopropylmethyl(ethyl)amino]-1-(2,4-dichlorophenyl)propan-1-one
SMILESCCN(CC1CC1)C(C)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H19Cl2NO/c1-3-18(9-11-4-5-11)10(2)15(19)13-7-6-12(16)8-14(13)17/h6-8,10-11H,3-5,9H2,1-2H3
InChIKeyFQMANTQAVIIDOF-UHFFFAOYSA-N
XLogP4.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropylmethyl(propyl)amino]-1-(2,4-dichlorophenyl)propan-1-one
CID 63567175
1-(2,4-dichlorophenyl)-2-[ethyl(2-methoxyethyl)amino]propan-1-one
CID 61446505
2-[cyclopentyl(ethyl)amino]-1-(2,4-dichlorophenyl)propan-1-one
CID 43796309
1-(2,4-dichlorophenyl)-2-[2-ethoxyethyl(ethyl)amino]propan-1-one
CID 63696693
N-(2-amino-4-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]propanamide
CID 63955312
1-(2,4-dichlorophenyl)-2-[methyl(oxan-3-ylmethyl)amino]propan-1-one
CID 63713469
1-(2,4-dichlorophenyl)-2-ethylsulfinylpropan-1-one
CID 64639669
4-chloro-N-(cyclopropylmethyl)-2-hydroxy-N-propan-2-ylbenzamide
CID 54945824
1-(2,4-dichlorophenyl)-2-[methyl(pentyl)amino]propan-1-one
CID 43796048
1-(2,4-dichlorophenyl)-2-[methyl-(2-methylcyclohexyl)amino]propan-1-one
CID 63565936
2-(cyclopropylamino)-1-(2,4-dichlorophenyl)propan-1-one
CID 82100516
2-[[1-(2,4-dichlorophenyl)-1-oxopropan-2-yl]-methylamino]-N-ethylacetamide
CID 62036106

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(ethyl)amino]-1-(2,4-dichlorophenyl)propan-1-one?
The IUPAC name of 2-[cyclopropylmethyl(ethyl)amino]-1-(2,4-dichlorophenyl)propan-1-one (CID 63957045) is 2-[cyclopropylmethyl(ethyl)amino]-1-(2,4-dichlorophenyl)propan-1-one.
What is the SMILES notation for 2-[cyclopropylmethyl(ethyl)amino]-1-(2,4-dichlorophenyl)propan-1-one?
The canonical SMILES for 2-[cyclopropylmethyl(ethyl)amino]-1-(2,4-dichlorophenyl)propan-1-one is CCN(CC1CC1)C(C)C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[cyclopropylmethyl(ethyl)amino]-1-(2,4-dichlorophenyl)propan-1-one?
The InChIKey is FQMANTQAVIIDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO/c1-3-18(9-11-4-5-11)10(2)15(19)13-7-6-12(16)8-14(13)17/h6-8,10-11H,3-5,9H2,1-2H3.
What are the key properties of 2-[cyclopropylmethyl(ethyl)amino]-1-(2,4-dichlorophenyl)propan-1-one?
2-[cyclopropylmethyl(ethyl)amino]-1-(2,4-dichlorophenyl)propan-1-one has a molecular weight of 300.23 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(ethyl)amino]-1-(2,4-dichlorophenyl)propan-1-one is sourced from PubChem (CID 63957045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).