2-[butyl(ethyl)amino]-1-(2-chlorophenyl)ethanone

C14H20ClNO — CID 43219892

IUPAC2-[butyl(ethyl)amino]-1-(2-chlorophenyl)ethanone
SMILESCCCCN(CC)CC(=O)c1ccccc1Cl
InChIInChI=1S/C14H20ClNO/c1-3-5-10-16(4-2)11-14(17)12-8-6-7-9-13(12)15/h6-9H,3-5,10-11H2,1-2H3
InChIKeyCICAJPMKQQPMKT-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.64
Rot. Bonds7

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

2-[butyl(ethyl)amino]-1-(2-chlorophenyl)ethanone (PubChem CID 43219892) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 2-[butyl(ethyl)amino]-1-(2-chlorophenyl)ethanone.

Molecular Properties

Compound Name2-[butyl(ethyl)amino]-1-(2-chlorophenyl)ethanone
PubChem CID43219892
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name2-[butyl(ethyl)amino]-1-(2-chlorophenyl)ethanone
SMILESCCCCN(CC)CC(=O)c1ccccc1Cl
InChIInChI=1S/C14H20ClNO/c1-3-5-10-16(4-2)11-14(17)12-8-6-7-9-13(12)15/h6-9H,3-5,10-11H2,1-2H3
InChIKeyCICAJPMKQQPMKT-UHFFFAOYSA-N
XLogP3.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
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
1-(2-bromophenyl)-2-[3-(diethylamino)propyl-ethylamino]ethanone
CID 102995150
2-[3-(diethylamino)propyl-ethylamino]-1-(2-fluorophenyl)ethanone
CID 102995129
N-butyl-2-chloro-N-ethylbenzamide
CID 2164666
1-(2,4-dichlorophenyl)-2-[ethyl(propyl)amino]ethanone
CID 43795354
2-(dibutylamino)-1-(2-ethoxyphenyl)ethanone
CID 43794795
1-(2-chlorophenyl)dodecan-1-one
CID 114963350
1-(2,5-dichlorophenyl)-2-[3-(dimethylamino)propyl-ethylamino]ethanone
CID 102995029
1-(4-aminophenyl)-2-[butyl(ethyl)amino]ethanone
CID 82256582
2-[butan-2-yl(ethyl)amino]-1-(2-chlorophenyl)ethanone
CID 43796012
3-[butyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one
CID 62618359
N-(2-chlorophenyl)-2-(dibutylamino)acetamide
CID 18870799

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(ethyl)amino]-1-(2-chlorophenyl)ethanone?
The IUPAC name of 2-[butyl(ethyl)amino]-1-(2-chlorophenyl)ethanone (CID 43219892) is 2-[butyl(ethyl)amino]-1-(2-chlorophenyl)ethanone.
What is the SMILES notation for 2-[butyl(ethyl)amino]-1-(2-chlorophenyl)ethanone?
The canonical SMILES for 2-[butyl(ethyl)amino]-1-(2-chlorophenyl)ethanone is CCCCN(CC)CC(=O)c1ccccc1Cl.
What is the InChIKey of 2-[butyl(ethyl)amino]-1-(2-chlorophenyl)ethanone?
The InChIKey is CICAJPMKQQPMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-3-5-10-16(4-2)11-14(17)12-8-6-7-9-13(12)15/h6-9H,3-5,10-11H2,1-2H3.
What are the key properties of 2-[butyl(ethyl)amino]-1-(2-chlorophenyl)ethanone?
2-[butyl(ethyl)amino]-1-(2-chlorophenyl)ethanone has a molecular weight of 253.77 g/mol, XLogP of 3.64, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(ethyl)amino]-1-(2-chlorophenyl)ethanone is sourced from PubChem (CID 43219892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).