(4R)-4-(4-chlorophenyl)-2-methyl-6-(1-phenylpropylamino)hexan-3-one

C22H28ClNO — CID 66767129

IUPAC(4R)-4-(4-chlorophenyl)-2-methyl-6-(1-phenylpropylamino)hexan-3-one
SMILESCCC(NCCC(C(=O)C(C)C)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C22H28ClNO/c1-4-21(18-8-6-5-7-9-18)24-15-14-20(22(25)16(2)3)17-10-12-19(23)13-11-17/h5-13,16,20-21,24H,4,14-15H2,1-3H3
InChIKeyDELIITQSACVUQB-UHFFFAOYSA-N
MW357.93 g/mol
LogP5.78
Rot. Bonds9

About (4R)-4-(4-chlorophenyl)-2-methyl-6-(1-phenylpropylamino)hexan-3-one

(4R)-4-(4-chlorophenyl)-2-methyl-6-(1-phenylpropylamino)hexan-3-one (PubChem CID 66767129) has the molecular formula C22H28ClNO and a molecular weight of 357.93 g/mol. Its IUPAC name is (4R)-4-(4-chlorophenyl)-2-methyl-6-(1-phenylpropylamino)hexan-3-one.

Molecular Properties

Compound Name(4R)-4-(4-chlorophenyl)-2-methyl-6-(1-phenylpropylamino)hexan-3-one
PubChem CID66767129
Molecular FormulaC22H28ClNO
Molecular Weight357.93 g/mol
Exact Mass357.19
IUPAC Name(4R)-4-(4-chlorophenyl)-2-methyl-6-(1-phenylpropylamino)hexan-3-one
SMILESCCC(NCCC(C(=O)C(C)C)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C22H28ClNO/c1-4-21(18-8-6-5-7-9-18)24-15-14-20(22(25)16(2)3)17-10-12-19(23)13-11-17/h5-13,16,20-21,24H,4,14-15H2,1-3H3
InChIKeyDELIITQSACVUQB-UHFFFAOYSA-N
XLogP5.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.93
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[1-(4-chlorophenyl)propylamino]pentan-2-ol
CID 107270366
1-(4-chlorophenyl)-2-(1-phenylpropylamino)ethanol
CID 62304367
3-[1-(4-chlorophenyl)propylamino]-N-propan-2-ylpropanamide
CID 112684495
tert-butyl N-[4-[1-(4-chlorophenyl)propylamino]butan-2-yl]carbamate
CID 107247097
4-[1-(3-phenylbutylamino)propyl]phenol
CID 62988194
N-[1-(4-chlorophenyl)propyl]-3-phenylbutanamide
CID 24613384
(3S)-3-(4-chlorophenyl)-3-[[(2R)-2-phenylbutanoyl]amino]propanoic acid
CID 7045314
(3S)-3-(4-chlorophenyl)-3-(2-phenylbutanoylamino)propanoic acid
CID 120606635
N-[1-(4-chlorophenyl)propyl]-3-cyclohepta-1,4,6-trien-1-yl-3-phenylpropan-1-amine
CID 143150716
5-[1-(4-chlorophenyl)propylamino]-2-methylpentan-1-ol
CID 103905460
(4R)-4-(4-bromophenyl)-2-methyl-6-(propan-2-ylamino)hexan-3-one
CID 59670771
2-amino-N-[1-(4-chlorophenyl)propyl]-2-phenylacetamide
CID 43704192

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-chlorophenyl)-2-methyl-6-(1-phenylpropylamino)hexan-3-one?
The IUPAC name of (4R)-4-(4-chlorophenyl)-2-methyl-6-(1-phenylpropylamino)hexan-3-one (CID 66767129) is (4R)-4-(4-chlorophenyl)-2-methyl-6-(1-phenylpropylamino)hexan-3-one.
What is the SMILES notation for (4R)-4-(4-chlorophenyl)-2-methyl-6-(1-phenylpropylamino)hexan-3-one?
The canonical SMILES for (4R)-4-(4-chlorophenyl)-2-methyl-6-(1-phenylpropylamino)hexan-3-one is CCC(NCCC(C(=O)C(C)C)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of (4R)-4-(4-chlorophenyl)-2-methyl-6-(1-phenylpropylamino)hexan-3-one?
The InChIKey is DELIITQSACVUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClNO/c1-4-21(18-8-6-5-7-9-18)24-15-14-20(22(25)16(2)3)17-10-12-19(23)13-11-17/h5-13,16,20-21,24H,4,14-15H2,1-3H3.
What are the key properties of (4R)-4-(4-chlorophenyl)-2-methyl-6-(1-phenylpropylamino)hexan-3-one?
(4R)-4-(4-chlorophenyl)-2-methyl-6-(1-phenylpropylamino)hexan-3-one has a molecular weight of 357.93 g/mol, XLogP of 5.78, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-chlorophenyl)-2-methyl-6-(1-phenylpropylamino)hexan-3-one is sourced from PubChem (CID 66767129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).