2-(tert-butylamino)-1-(3-chloro-4-methylphenyl)propan-1-one

C14H20ClNO — CID 44542510

IUPAC2-(tert-butylamino)-1-(3-chloro-4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)C(C)NC(C)(C)C)cc1Cl
InChIInChI=1S/C14H20ClNO/c1-9-6-7-11(8-12(9)15)13(17)10(2)16-14(3,4)5/h6-8,10,16H,1-5H3
InChIKeyABPSWEJOHYDZDP-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.61
Rot. Bonds3

About 2-(tert-butylamino)-1-(3-chloro-4-methylphenyl)propan-1-one

2-(tert-butylamino)-1-(3-chloro-4-methylphenyl)propan-1-one (PubChem CID 44542510) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-(3-chloro-4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name2-(tert-butylamino)-1-(3-chloro-4-methylphenyl)propan-1-one
PubChem CID44542510
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name2-(tert-butylamino)-1-(3-chloro-4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)C(C)NC(C)(C)C)cc1Cl
InChIInChI=1S/C14H20ClNO/c1-9-6-7-11(8-12(9)15)13(17)10(2)16-14(3,4)5/h6-8,10,16H,1-5H3
InChIKeyABPSWEJOHYDZDP-UHFFFAOYSA-N
XLogP3.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(tert-butylamino)-1-(3,4-dichlorophenyl)propan-1-one;hydrochloride
CID 71314367
1-(3,4-dichlorophenyl)-2-[(1,1,1,3,3,3-hexadeuterio-2-methylpropan-2-yl)amino]propan-1-one;hydrochloride
CID 71314368
1-(3,4-dichlorophenyl)-2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]propan-1-one;hydrochloride
CID 169435148
2-(tert-butylamino)-1-(3,4-dihydroxyphenyl)propan-1-one
CID 13080781
(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
1-(3-chloro-4-methylphenyl)-2,2-difluoroethanone
CID 91658558
1-(3-chloro-4-methylphenyl)-2-methoxy-3,3-dimethylbutan-1-one
CID 107559952
1-(4-bromophenyl)-2-(tert-butylamino)propan-1-one
CID 44542509
2-(tert-butylamino)-1-(2,4-dimethylphenyl)propan-1-one
CID 82100526
bis((E)-but-2-enedioic acid);2-(tert-butylamino)-1-(4-chlorophenyl)propan-1-one
CID 131698964
methyl 4-(3-chloro-4-methylphenyl)-3-methyl-4-oxobutanoate
CID 106818213

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-(3-chloro-4-methylphenyl)propan-1-one?
The IUPAC name of 2-(tert-butylamino)-1-(3-chloro-4-methylphenyl)propan-1-one (CID 44542510) is 2-(tert-butylamino)-1-(3-chloro-4-methylphenyl)propan-1-one.
What is the SMILES notation for 2-(tert-butylamino)-1-(3-chloro-4-methylphenyl)propan-1-one?
The canonical SMILES for 2-(tert-butylamino)-1-(3-chloro-4-methylphenyl)propan-1-one is Cc1ccc(C(=O)C(C)NC(C)(C)C)cc1Cl.
What is the InChIKey of 2-(tert-butylamino)-1-(3-chloro-4-methylphenyl)propan-1-one?
The InChIKey is ABPSWEJOHYDZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-9-6-7-11(8-12(9)15)13(17)10(2)16-14(3,4)5/h6-8,10,16H,1-5H3.
What are the key properties of 2-(tert-butylamino)-1-(3-chloro-4-methylphenyl)propan-1-one?
2-(tert-butylamino)-1-(3-chloro-4-methylphenyl)propan-1-one has a molecular weight of 253.77 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1-(3-chloro-4-methylphenyl)propan-1-one is sourced from PubChem (CID 44542510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).