1-(4-chlorophenyl)-2-(ethylamino)propan-1-one;hydrochloride

C11H15Cl2NO — CID 131851401

IUPAC1-(4-chlorophenyl)-2-(ethylamino)propan-1-one;hydrochloride
SMILESCCNC(C)C(=O)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C11H14ClNO.ClH/c1-3-13-8(2)11(14)9-4-6-10(12)7-5-9;/h4-8,13H,3H2,1-2H3;1H
InChIKeyAENZBLLLJXXVMI-UHFFFAOYSA-N
MW248.15 g/mol
LogP2.94
Rot. Bonds4

About 1-(4-chlorophenyl)-2-(ethylamino)propan-1-one;hydrochloride

1-(4-chlorophenyl)-2-(ethylamino)propan-1-one;hydrochloride (PubChem CID 131851401) has the molecular formula C11H15Cl2NO and a molecular weight of 248.15 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(ethylamino)propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(ethylamino)propan-1-one;hydrochloride
PubChem CID131851401
Molecular FormulaC11H15Cl2NO
Molecular Weight248.15 g/mol
Exact Mass247.05
IUPAC Name1-(4-chlorophenyl)-2-(ethylamino)propan-1-one;hydrochloride
SMILESCCNC(C)C(=O)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C11H14ClNO.ClH/c1-3-13-8(2)11(14)9-4-6-10(12)7-5-9;/h4-8,13H,3H2,1-2H3;1H
InChIKeyAENZBLLLJXXVMI-UHFFFAOYSA-N
XLogP2.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-2-(ethylamino)butan-1-one;hydrochloride
CID 169436410
1-(4-chlorophenyl)-2-(3-methylbutylamino)propan-1-one
CID 82100428
1-(4-chlorophenyl)-2-(3-ethoxypropylamino)propan-1-one
CID 82100415
1-(3-chloro-4-ethoxyphenyl)-2-(ethylamino)propan-1-one
CID 112512675
2-butan-2-ylsulfanyl-1-(4-chlorophenyl)propan-1-one
CID 43412517
1-(4-chlorophenyl)-2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]propan-1-one
CID 169437498
1-(4-chlorophenyl)-2-methylbutane-1,3-dione
CID 83533665
2-amino-1-(4-chlorophenyl)butan-1-one
CID 2831614
(2S)-2-amino-1-(4-chlorophenyl)butan-1-one
CID 779152
[(2R)-1-(4-chlorophenyl)-1-oxobutan-2-yl]azanium
CID 7393173
4-amino-1-(4-chlorophenyl)-2-methylbutan-1-one
CID 116594848
2-(ethylamino)-1-(6-methoxynaphthalen-2-yl)propan-1-one
CID 138739949

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(ethylamino)propan-1-one;hydrochloride?
The IUPAC name of 1-(4-chlorophenyl)-2-(ethylamino)propan-1-one;hydrochloride (CID 131851401) is 1-(4-chlorophenyl)-2-(ethylamino)propan-1-one;hydrochloride.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(ethylamino)propan-1-one;hydrochloride?
The canonical SMILES for 1-(4-chlorophenyl)-2-(ethylamino)propan-1-one;hydrochloride is CCNC(C)C(=O)c1ccc(Cl)cc1.Cl.
What is the InChIKey of 1-(4-chlorophenyl)-2-(ethylamino)propan-1-one;hydrochloride?
The InChIKey is AENZBLLLJXXVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO.ClH/c1-3-13-8(2)11(14)9-4-6-10(12)7-5-9;/h4-8,13H,3H2,1-2H3;1H.
What are the key properties of 1-(4-chlorophenyl)-2-(ethylamino)propan-1-one;hydrochloride?
1-(4-chlorophenyl)-2-(ethylamino)propan-1-one;hydrochloride has a molecular weight of 248.15 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(ethylamino)propan-1-one;hydrochloride is sourced from PubChem (CID 131851401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).