6-amino-4-(4-chlorophenyl)-2,4-dimethylhexan-3-one

C14H20ClNO — CID 59670752

IUPAC6-amino-4-(4-chlorophenyl)-2,4-dimethylhexan-3-one
SMILESCC(C)C(=O)C(C)(CCN)c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO/c1-10(2)13(17)14(3,8-9-16)11-4-6-12(15)7-5-11/h4-7,10H,8-9,16H2,1-3H3
InChIKeyBIEGKMIHRQBEGD-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.17
Rot. Bonds5

About 6-amino-4-(4-chlorophenyl)-2,4-dimethylhexan-3-one

6-amino-4-(4-chlorophenyl)-2,4-dimethylhexan-3-one (PubChem CID 59670752) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 6-amino-4-(4-chlorophenyl)-2,4-dimethylhexan-3-one.

Molecular Properties

Compound Name6-amino-4-(4-chlorophenyl)-2,4-dimethylhexan-3-one
PubChem CID59670752
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name6-amino-4-(4-chlorophenyl)-2,4-dimethylhexan-3-one
SMILESCC(C)C(=O)C(C)(CCN)c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO/c1-10(2)13(17)14(3,8-9-16)11-4-6-12(15)7-5-11/h4-7,10H,8-9,16H2,1-3H3
InChIKeyBIEGKMIHRQBEGD-UHFFFAOYSA-N
XLogP3.17
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-2-(4-hydroxyphenyl)-2-methylbutanoic acid
CID 117049848
N-(2-amino-1-cyclopropylethyl)-2-(4-chlorophenyl)-2-methylpropanamide
CID 119612723
2-(4-chlorophenyl)-2-methylpentanedioic acid
CID 117050161
2-(4-chlorophenyl)propan-2-yl 2-aminoacetate
CID 175017464
N-(3-amino-2-methylpropyl)-2-(4-chlorophenyl)-2-methylpropanamide;hydrochloride
CID 119995339
1-(4-chlorophenyl)-2,2,4-trimethylpentane-1,3-dione
CID 15903801
(2R)-2-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]propanamide;hydrochloride
CID 119297367
2-[[2-(4-chlorophenyl)-2-methylpropanoyl]amino]propanoic acid
CID 110466165
ethyl 2-(4-chlorophenyl)-2,3-dimethylbutanoate
CID 117047943
1-amino-2-(4-chlorophenyl)propan-2-ol;hydrochloride
CID 17039441
2-(4-chlorophenyl)-N-(2-hydroxypropyl)-2-methylpropanamide
CID 110466162
4-amino-2-(4-cyanophenyl)-2-methylbutanoic acid
CID 117049839

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(4-chlorophenyl)-2,4-dimethylhexan-3-one?
The IUPAC name of 6-amino-4-(4-chlorophenyl)-2,4-dimethylhexan-3-one (CID 59670752) is 6-amino-4-(4-chlorophenyl)-2,4-dimethylhexan-3-one.
What is the SMILES notation for 6-amino-4-(4-chlorophenyl)-2,4-dimethylhexan-3-one?
The canonical SMILES for 6-amino-4-(4-chlorophenyl)-2,4-dimethylhexan-3-one is CC(C)C(=O)C(C)(CCN)c1ccc(Cl)cc1.
What is the InChIKey of 6-amino-4-(4-chlorophenyl)-2,4-dimethylhexan-3-one?
The InChIKey is BIEGKMIHRQBEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-10(2)13(17)14(3,8-9-16)11-4-6-12(15)7-5-11/h4-7,10H,8-9,16H2,1-3H3.
What are the key properties of 6-amino-4-(4-chlorophenyl)-2,4-dimethylhexan-3-one?
6-amino-4-(4-chlorophenyl)-2,4-dimethylhexan-3-one has a molecular weight of 253.77 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(4-chlorophenyl)-2,4-dimethylhexan-3-one is sourced from PubChem (CID 59670752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).