1-(3-chlorophenyl)-2-(2-methylbutan-2-ylamino)propan-1-one;hydrochloride

C14H21Cl2NO — CID 3031068

IUPAC1-(3-chlorophenyl)-2-(2-methylbutan-2-ylamino)propan-1-one;hydrochloride
SMILESCCC(C)(C)NC(C)C(=O)c1cccc(Cl)c1.Cl
InChIInChI=1S/C14H20ClNO.ClH/c1-5-14(3,4)16-10(2)13(17)11-7-6-8-12(15)9-11;/h6-10,16H,5H2,1-4H3;1H
InChIKeyUSMRGUICWFYEDW-UHFFFAOYSA-N
MW290.23 g/mol
LogP4.11
Rot. Bonds5

About 1-(3-chlorophenyl)-2-(2-methylbutan-2-ylamino)propan-1-one;hydrochloride

1-(3-chlorophenyl)-2-(2-methylbutan-2-ylamino)propan-1-one;hydrochloride (PubChem CID 3031068) has the molecular formula C14H21Cl2NO and a molecular weight of 290.23 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-(2-methylbutan-2-ylamino)propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-(2-methylbutan-2-ylamino)propan-1-one;hydrochloride
PubChem CID3031068
Molecular FormulaC14H21Cl2NO
Molecular Weight290.23 g/mol
Exact Mass289.10
IUPAC Name1-(3-chlorophenyl)-2-(2-methylbutan-2-ylamino)propan-1-one;hydrochloride
SMILESCCC(C)(C)NC(C)C(=O)c1cccc(Cl)c1.Cl
InChIInChI=1S/C14H20ClNO.ClH/c1-5-14(3,4)16-10(2)13(17)11-7-6-8-12(15)9-11;/h6-10,16H,5H2,1-4H3;1H
InChIKeyUSMRGUICWFYEDW-UHFFFAOYSA-N
XLogP4.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

bis(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one);dihydrochloride
CID 69303018
(2R)-2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one;hydrobromide
CID 73416166
(2S)-2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one;hydrobromide
CID 73416165
(2R)-2-(tert-butylamino)-1-(3-chlorophenyl)-2-deuteriopropan-1-one
CID 72950433
2-(tert-butylamino)-1-(3-chlorophenyl)pentan-1-one
CID 3029724
2-(tert-butylamino)-1-(3-chlorophenyl)-4-methylpentan-1-one
CID 44542657
1-(4-amino-3,5-dichlorophenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]ethanone;1-(3-chlorophenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]propan-1-one
CID 162171894
1-(3-chlorophenyl)-3,3,3-trideuterio-2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]propan-1-one
CID 45280686
(2R)-1-(3-chlorophenyl)-2-deuterio-2,4,4-trimethylpentan-1-one
CID 153145268
1-(3-chlorophenyl)-2-deuterio-2,4,4-trimethylpentan-1-one
CID 153145267
CID 87798938
CID 87798938
(2R)-2-amino-1-(3-chlorophenyl)propan-1-one
CID 58665961

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-(2-methylbutan-2-ylamino)propan-1-one;hydrochloride?
The IUPAC name of 1-(3-chlorophenyl)-2-(2-methylbutan-2-ylamino)propan-1-one;hydrochloride (CID 3031068) is 1-(3-chlorophenyl)-2-(2-methylbutan-2-ylamino)propan-1-one;hydrochloride.
What is the SMILES notation for 1-(3-chlorophenyl)-2-(2-methylbutan-2-ylamino)propan-1-one;hydrochloride?
The canonical SMILES for 1-(3-chlorophenyl)-2-(2-methylbutan-2-ylamino)propan-1-one;hydrochloride is CCC(C)(C)NC(C)C(=O)c1cccc(Cl)c1.Cl.
What is the InChIKey of 1-(3-chlorophenyl)-2-(2-methylbutan-2-ylamino)propan-1-one;hydrochloride?
The InChIKey is USMRGUICWFYEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO.ClH/c1-5-14(3,4)16-10(2)13(17)11-7-6-8-12(15)9-11;/h6-10,16H,5H2,1-4H3;1H.
What are the key properties of 1-(3-chlorophenyl)-2-(2-methylbutan-2-ylamino)propan-1-one;hydrochloride?
1-(3-chlorophenyl)-2-(2-methylbutan-2-ylamino)propan-1-one;hydrochloride has a molecular weight of 290.23 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-(2-methylbutan-2-ylamino)propan-1-one;hydrochloride is sourced from PubChem (CID 3031068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).