2-(tert-butylamino)-1-(3-chlorophenyl)pentan-1-one

C15H22ClNO — CID 3029724

IUPAC2-(tert-butylamino)-1-(3-chlorophenyl)pentan-1-one
SMILESCCCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H22ClNO/c1-5-7-13(17-15(2,3)4)14(18)11-8-6-9-12(16)10-11/h6,8-10,13,17H,5,7H2,1-4H3
InChIKeyPREYWAJYVTVVPE-UHFFFAOYSA-N
MW267.80 g/mol
LogP4.08
Rot. Bonds5

About 2-(tert-butylamino)-1-(3-chlorophenyl)pentan-1-one

2-(tert-butylamino)-1-(3-chlorophenyl)pentan-1-one (PubChem CID 3029724) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-(3-chlorophenyl)pentan-1-one.

Molecular Properties

Compound Name2-(tert-butylamino)-1-(3-chlorophenyl)pentan-1-one
PubChem CID3029724
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name2-(tert-butylamino)-1-(3-chlorophenyl)pentan-1-one
SMILESCCCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H22ClNO/c1-5-7-13(17-15(2,3)4)14(18)11-8-6-9-12(16)10-11/h6,8-10,13,17H,5,7H2,1-4H3
InChIKeyPREYWAJYVTVVPE-UHFFFAOYSA-N
XLogP4.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(tert-butylamino)-1-(3-chlorophenyl)-4-methylpentan-1-one
CID 44542657
(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
1-(3-chlorophenyl)-2-hydroxypentan-1-one
CID 67470935
(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
2-(3-chlorobenzoyl)pentanenitrile
CID 79405586
1-(3-chlorophenyl)-2,3,3,3-tetradeuterio-2-[(1,1,1-trideuterio-2-methylpropan-2-yl)amino]propan-1-one
CID 155642331
1-(3-chlorophenyl)-2-(cyclopropylamino)butan-1-one
CID 46944826
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)-2-(3-chloroanilino)pentanoic acid
CID 40801075

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-(3-chlorophenyl)pentan-1-one?
The IUPAC name of 2-(tert-butylamino)-1-(3-chlorophenyl)pentan-1-one (CID 3029724) is 2-(tert-butylamino)-1-(3-chlorophenyl)pentan-1-one.
What is the SMILES notation for 2-(tert-butylamino)-1-(3-chlorophenyl)pentan-1-one?
The canonical SMILES for 2-(tert-butylamino)-1-(3-chlorophenyl)pentan-1-one is CCCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1.
What is the InChIKey of 2-(tert-butylamino)-1-(3-chlorophenyl)pentan-1-one?
The InChIKey is PREYWAJYVTVVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-5-7-13(17-15(2,3)4)14(18)11-8-6-9-12(16)10-11/h6,8-10,13,17H,5,7H2,1-4H3.
What are the key properties of 2-(tert-butylamino)-1-(3-chlorophenyl)pentan-1-one?
2-(tert-butylamino)-1-(3-chlorophenyl)pentan-1-one has a molecular weight of 267.80 g/mol, XLogP of 4.08, 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)pentan-1-one is sourced from PubChem (CID 3029724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).