2-[butan-2-yl(ethyl)amino]-1-(2-chlorophenyl)ethanone

C14H20ClNO — CID 43796012

IUPAC2-[butan-2-yl(ethyl)amino]-1-(2-chlorophenyl)ethanone
SMILESCCC(C)N(CC)CC(=O)c1ccccc1Cl
InChIInChI=1S/C14H20ClNO/c1-4-11(3)16(5-2)10-14(17)12-8-6-7-9-13(12)15/h6-9,11H,4-5,10H2,1-3H3
InChIKeyZIAAJJKXFRFWMZ-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.64
Rot. Bonds6

About 2-[butan-2-yl(ethyl)amino]-1-(2-chlorophenyl)ethanone

2-[butan-2-yl(ethyl)amino]-1-(2-chlorophenyl)ethanone (PubChem CID 43796012) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 2-[butan-2-yl(ethyl)amino]-1-(2-chlorophenyl)ethanone.

Molecular Properties

Compound Name2-[butan-2-yl(ethyl)amino]-1-(2-chlorophenyl)ethanone
PubChem CID43796012
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name2-[butan-2-yl(ethyl)amino]-1-(2-chlorophenyl)ethanone
SMILESCCC(C)N(CC)CC(=O)c1ccccc1Cl
InChIInChI=1S/C14H20ClNO/c1-4-11(3)16(5-2)10-14(17)12-8-6-7-9-13(12)15/h6-9,11H,4-5,10H2,1-3H3
InChIKeyZIAAJJKXFRFWMZ-UHFFFAOYSA-N
XLogP3.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[butan-2-yl(butyl)amino]-1-(2-chlorophenyl)ethanone
CID 54941329
3-[butan-2-yl(ethyl)amino]-1-(2,3-dichlorophenyl)propan-1-one
CID 114079709
N,N-di(butan-2-yl)-2-chlorobenzamide
CID 4225702
2-[ethyl(propan-2-yl)amino]-1-(2-methylphenyl)ethanone
CID 43795126
1-(2-chlorophenyl)-2-[methyl(1-methylsulfanylpropan-2-yl)amino]ethanone
CID 112662106
2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(2-methylphenyl)ethanone
CID 103189902
2-[butyl(ethyl)amino]-1-(2-chlorophenyl)ethanone
CID 43219892
2-[butan-2-yl(ethyl)amino]-1-thiophen-2-ylethanone
CID 43795972
2-[butan-2-yl(ethyl)amino]-1-(4-fluorophenyl)ethanone
CID 43795952
2-[[2-(2-chlorophenyl)-2-oxoethyl]-(2-methylpropyl)amino]acetamide
CID 62036439
1-(2-chlorophenyl)-2-(3-methylbutylsulfinyl)ethanone
CID 107768059
2-[butan-2-yl(ethyl)amino]-1-(3-methoxyphenyl)ethanone
CID 43795970

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(ethyl)amino]-1-(2-chlorophenyl)ethanone?
The IUPAC name of 2-[butan-2-yl(ethyl)amino]-1-(2-chlorophenyl)ethanone (CID 43796012) is 2-[butan-2-yl(ethyl)amino]-1-(2-chlorophenyl)ethanone.
What is the SMILES notation for 2-[butan-2-yl(ethyl)amino]-1-(2-chlorophenyl)ethanone?
The canonical SMILES for 2-[butan-2-yl(ethyl)amino]-1-(2-chlorophenyl)ethanone is CCC(C)N(CC)CC(=O)c1ccccc1Cl.
What is the InChIKey of 2-[butan-2-yl(ethyl)amino]-1-(2-chlorophenyl)ethanone?
The InChIKey is ZIAAJJKXFRFWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-4-11(3)16(5-2)10-14(17)12-8-6-7-9-13(12)15/h6-9,11H,4-5,10H2,1-3H3.
What are the key properties of 2-[butan-2-yl(ethyl)amino]-1-(2-chlorophenyl)ethanone?
2-[butan-2-yl(ethyl)amino]-1-(2-chlorophenyl)ethanone has a molecular weight of 253.77 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(ethyl)amino]-1-(2-chlorophenyl)ethanone is sourced from PubChem (CID 43796012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).