1-(2-chlorophenyl)-2-(ethylamino)-2-methylpropan-1-one

C12H16ClNO — CID 97356118

IUPAC1-(2-chlorophenyl)-2-(ethylamino)-2-methylpropan-1-one
SMILESCCNC(C)(C)C(=O)c1ccccc1Cl
InChIInChI=1S/C12H16ClNO/c1-4-14-12(2,3)11(15)9-7-5-6-8-10(9)13/h5-8,14H,4H2,1-3H3
InChIKeyKPJNSHWXNVAFMW-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.91
Rot. Bonds4

About 1-(2-chlorophenyl)-2-(ethylamino)-2-methylpropan-1-one

1-(2-chlorophenyl)-2-(ethylamino)-2-methylpropan-1-one (PubChem CID 97356118) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-(ethylamino)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-(ethylamino)-2-methylpropan-1-one
PubChem CID97356118
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name1-(2-chlorophenyl)-2-(ethylamino)-2-methylpropan-1-one
SMILESCCNC(C)(C)C(=O)c1ccccc1Cl
InChIInChI=1S/C12H16ClNO/c1-4-14-12(2,3)11(15)9-7-5-6-8-10(9)13/h5-8,14H,4H2,1-3H3
InChIKeyKPJNSHWXNVAFMW-UHFFFAOYSA-N
XLogP2.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ethylamino)-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 116566057
2,2-dichloro-1-(2-chlorophenyl)-3,3-dimethylbutan-1-one
CID 19347636
2-amino-1-(2-chlorophenyl)-2-methylpropan-1-one
CID 82282086
1-(2-chlorophenyl)-2-methoxy-2-methylbutan-1-one
CID 116746687
(2S)-2-(2-chlorophenyl)-2-(ethylamino)propanoic acid
CID 93280138
2-amino-1-(2-chlorophenyl)-2-methylpentan-1-one
CID 116556904
ethyl 3-(2-chlorophenyl)-2,2-dimethyl-3-oxopropanoate
CID 22664966
1-(2-chlorophenyl)-2-(dimethylamino)-2-ethylbutan-1-one
CID 79062329
3-(ethylamino)-3-methyl-1-phenylbutan-2-one
CID 116565964
2-(ethylamino)-1-(4-fluorophenyl)-2-methylpropan-1-one
CID 116566054
1-(4-chloro-1-methylpyrazol-5-yl)-2-(ethylamino)-2-methylpropan-1-one
CID 114669017
2-chloro-N-(1-chloro-2-methylbutan-2-yl)benzamide
CID 114303738

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-(ethylamino)-2-methylpropan-1-one?
The IUPAC name of 1-(2-chlorophenyl)-2-(ethylamino)-2-methylpropan-1-one (CID 97356118) is 1-(2-chlorophenyl)-2-(ethylamino)-2-methylpropan-1-one.
What is the SMILES notation for 1-(2-chlorophenyl)-2-(ethylamino)-2-methylpropan-1-one?
The canonical SMILES for 1-(2-chlorophenyl)-2-(ethylamino)-2-methylpropan-1-one is CCNC(C)(C)C(=O)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-(ethylamino)-2-methylpropan-1-one?
The InChIKey is KPJNSHWXNVAFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-4-14-12(2,3)11(15)9-7-5-6-8-10(9)13/h5-8,14H,4H2,1-3H3.
What are the key properties of 1-(2-chlorophenyl)-2-(ethylamino)-2-methylpropan-1-one?
1-(2-chlorophenyl)-2-(ethylamino)-2-methylpropan-1-one has a molecular weight of 225.72 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-(ethylamino)-2-methylpropan-1-one is sourced from PubChem (CID 97356118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).