2-(tert-butylamino)-1-(3-chlorophenyl)-4-methylpentan-1-one

C16H24ClNO — CID 44542657

IUPAC2-(tert-butylamino)-1-(3-chlorophenyl)-4-methylpentan-1-one
SMILESCC(C)CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H24ClNO/c1-11(2)9-14(18-16(3,4)5)15(19)12-7-6-8-13(17)10-12/h6-8,10-11,14,18H,9H2,1-5H3
InChIKeyWEKVVEUCXILQOT-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.33
Rot. Bonds5

About 2-(tert-butylamino)-1-(3-chlorophenyl)-4-methylpentan-1-one

2-(tert-butylamino)-1-(3-chlorophenyl)-4-methylpentan-1-one (PubChem CID 44542657) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-(3-chlorophenyl)-4-methylpentan-1-one.

Molecular Properties

Compound Name2-(tert-butylamino)-1-(3-chlorophenyl)-4-methylpentan-1-one
PubChem CID44542657
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name2-(tert-butylamino)-1-(3-chlorophenyl)-4-methylpentan-1-one
SMILESCC(C)CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H24ClNO/c1-11(2)9-14(18-16(3,4)5)15(19)12-7-6-8-13(17)10-12/h6-8,10-11,14,18H,9H2,1-5H3
InChIKeyWEKVVEUCXILQOT-UHFFFAOYSA-N
XLogP4.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(tert-butylamino)-1-(3-chlorophenyl)pentan-1-one
CID 3029724
(2R)-2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one;hydrobromide
CID 73416166
bis(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one);dihydrochloride
CID 69303018
(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
1-(3-chlorophenyl)-2-(2-methylbutan-2-ylamino)propan-1-one;hydrochloride
CID 3031068
1-(3-chlorophenyl)-2-deuterio-2,4,4-trimethylpentan-1-one
CID 153145267
(2R)-1-(3-chlorophenyl)-2-deuterio-2,4,4-trimethylpentan-1-one
CID 153145268
CID 87798938
CID 87798938
4-methylpentan-2-yl 3-chlorobenzoate
CID 91716229
1-(3-chlorophenyl)-3-(dimethylamino)-2-methylpropan-1-one
CID 11747400
(2R)-2-amino-1-(3-chlorophenyl)propan-1-one
CID 58665961

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-(3-chlorophenyl)-4-methylpentan-1-one?
The IUPAC name of 2-(tert-butylamino)-1-(3-chlorophenyl)-4-methylpentan-1-one (CID 44542657) is 2-(tert-butylamino)-1-(3-chlorophenyl)-4-methylpentan-1-one.
What is the SMILES notation for 2-(tert-butylamino)-1-(3-chlorophenyl)-4-methylpentan-1-one?
The canonical SMILES for 2-(tert-butylamino)-1-(3-chlorophenyl)-4-methylpentan-1-one is CC(C)CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1.
What is the InChIKey of 2-(tert-butylamino)-1-(3-chlorophenyl)-4-methylpentan-1-one?
The InChIKey is WEKVVEUCXILQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-11(2)9-14(18-16(3,4)5)15(19)12-7-6-8-13(17)10-12/h6-8,10-11,14,18H,9H2,1-5H3.
What are the key properties of 2-(tert-butylamino)-1-(3-chlorophenyl)-4-methylpentan-1-one?
2-(tert-butylamino)-1-(3-chlorophenyl)-4-methylpentan-1-one has a molecular weight of 281.83 g/mol, XLogP of 4.33, 5 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-chlorophenyl)-4-methylpentan-1-one is sourced from PubChem (CID 44542657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).