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

C12H17Cl2NO — CID 169436410

IUPAC1-(4-chlorophenyl)-2-(ethylamino)butan-1-one;hydrochloride
SMILESCCNC(CC)C(=O)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C12H16ClNO.ClH/c1-3-11(14-4-2)12(15)9-5-7-10(13)8-6-9;/h5-8,11,14H,3-4H2,1-2H3;1H
InChIKeyXVMRZEOZSNENFP-UHFFFAOYSA-N
MW262.18 g/mol
LogP3.33
Rot. Bonds5

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

1-(4-chlorophenyl)-2-(ethylamino)butan-1-one;hydrochloride (PubChem CID 169436410) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(ethylamino)butan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(ethylamino)butan-1-one;hydrochloride
PubChem CID169436410
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC Name1-(4-chlorophenyl)-2-(ethylamino)butan-1-one;hydrochloride
SMILESCCNC(CC)C(=O)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C12H16ClNO.ClH/c1-3-11(14-4-2)12(15)9-5-7-10(13)8-6-9;/h5-8,11,14H,3-4H2,1-2H3;1H
InChIKeyXVMRZEOZSNENFP-UHFFFAOYSA-N
XLogP3.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-2-(ethylamino)propan-1-one;hydrochloride
CID 131851401
2-(ethylamino)-1-(4-methylphenyl)butan-1-one
CID 91698934
2-(ethylamino)-1-(4-hydroxyphenyl)butan-1-one
CID 141149371
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
2-butan-2-ylsulfanyl-1-(4-chlorophenyl)propan-1-one
CID 43412517
1-(5-chloro-1-methylindol-3-yl)-2-(ethylamino)butan-1-one
CID 162765541
4-amino-1-(4-chlorophenyl)-2-methylbutan-1-one
CID 116594848
1-(1-benzofuran-6-yl)-2-(ethylamino)butan-1-one
CID 166892629
1-(4-chlorophenyl)-2-nitrobutan-1-one
CID 11601047
3-(4-chlorobenzoyl)pentanoic acid
CID 174540259

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(ethylamino)butan-1-one;hydrochloride?
The IUPAC name of 1-(4-chlorophenyl)-2-(ethylamino)butan-1-one;hydrochloride (CID 169436410) is 1-(4-chlorophenyl)-2-(ethylamino)butan-1-one;hydrochloride.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(ethylamino)butan-1-one;hydrochloride?
The canonical SMILES for 1-(4-chlorophenyl)-2-(ethylamino)butan-1-one;hydrochloride is CCNC(CC)C(=O)c1ccc(Cl)cc1.Cl.
What is the InChIKey of 1-(4-chlorophenyl)-2-(ethylamino)butan-1-one;hydrochloride?
The InChIKey is XVMRZEOZSNENFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO.ClH/c1-3-11(14-4-2)12(15)9-5-7-10(13)8-6-9;/h5-8,11,14H,3-4H2,1-2H3;1H.
What are the key properties of 1-(4-chlorophenyl)-2-(ethylamino)butan-1-one;hydrochloride?
1-(4-chlorophenyl)-2-(ethylamino)butan-1-one;hydrochloride has a molecular weight of 262.18 g/mol, XLogP of 3.33, 5 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)butan-1-one;hydrochloride is sourced from PubChem (CID 169436410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).