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

C16H21Cl2NO — CID 63567175

IUPAC2-[cyclopropylmethyl(propyl)amino]-1-(2,4-dichlorophenyl)propan-1-one
SMILESCCCN(CC1CC1)C(C)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H21Cl2NO/c1-3-8-19(10-12-4-5-12)11(2)16(20)14-7-6-13(17)9-15(14)18/h6-7,9,11-12H,3-5,8,10H2,1-2H3
InChIKeyYTMDQDNIIWATDU-UHFFFAOYSA-N
MW314.26 g/mol
LogP4.69
Rot. Bonds7

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

2-[cyclopropylmethyl(propyl)amino]-1-(2,4-dichlorophenyl)propan-1-one (PubChem CID 63567175) has the molecular formula C16H21Cl2NO and a molecular weight of 314.26 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(propyl)amino]-1-(2,4-dichlorophenyl)propan-1-one.

Molecular Properties

Compound Name2-[cyclopropylmethyl(propyl)amino]-1-(2,4-dichlorophenyl)propan-1-one
PubChem CID63567175
Molecular FormulaC16H21Cl2NO
Molecular Weight314.26 g/mol
Exact Mass313.10
IUPAC Name2-[cyclopropylmethyl(propyl)amino]-1-(2,4-dichlorophenyl)propan-1-one
SMILESCCCN(CC1CC1)C(C)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H21Cl2NO/c1-3-8-19(10-12-4-5-12)11(2)16(20)14-7-6-13(17)9-15(14)18/h6-7,9,11-12H,3-5,8,10H2,1-2H3
InChIKeyYTMDQDNIIWATDU-UHFFFAOYSA-N
XLogP4.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropylmethyl(ethyl)amino]-1-(2,4-dichlorophenyl)propan-1-one
CID 63957045
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
1-(2,4-dichlorophenyl)-2-[methyl(pentyl)amino]propan-1-one
CID 43796048
2,4-dichloro-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 79700911
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-(2-methylcyclohexyl)amino]propan-1-one
CID 63565936
3-[[1-(2,4-dichlorophenyl)-1-oxopropan-2-yl]-(2-methoxyethyl)amino]propanenitrile
CID 63285129
2-(cyclopropylamino)-1-(2,4-dichlorophenyl)propan-1-one
CID 82100516

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(propyl)amino]-1-(2,4-dichlorophenyl)propan-1-one?
The IUPAC name of 2-[cyclopropylmethyl(propyl)amino]-1-(2,4-dichlorophenyl)propan-1-one (CID 63567175) is 2-[cyclopropylmethyl(propyl)amino]-1-(2,4-dichlorophenyl)propan-1-one.
What is the SMILES notation for 2-[cyclopropylmethyl(propyl)amino]-1-(2,4-dichlorophenyl)propan-1-one?
The canonical SMILES for 2-[cyclopropylmethyl(propyl)amino]-1-(2,4-dichlorophenyl)propan-1-one is CCCN(CC1CC1)C(C)C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[cyclopropylmethyl(propyl)amino]-1-(2,4-dichlorophenyl)propan-1-one?
The InChIKey is YTMDQDNIIWATDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2NO/c1-3-8-19(10-12-4-5-12)11(2)16(20)14-7-6-13(17)9-15(14)18/h6-7,9,11-12H,3-5,8,10H2,1-2H3.
What are the key properties of 2-[cyclopropylmethyl(propyl)amino]-1-(2,4-dichlorophenyl)propan-1-one?
2-[cyclopropylmethyl(propyl)amino]-1-(2,4-dichlorophenyl)propan-1-one has a molecular weight of 314.26 g/mol, XLogP of 4.69, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(propyl)amino]-1-(2,4-dichlorophenyl)propan-1-one is sourced from PubChem (CID 63567175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).