(4R)-4-(4-bromophenyl)-2-methyl-6-(propan-2-ylamino)hexan-3-one

C16H24BrNO — CID 59670771

IUPAC(4R)-4-(4-bromophenyl)-2-methyl-6-(propan-2-ylamino)hexan-3-one
SMILESCC(C)NCC[C@@H](C(=O)C(C)C)c1ccc(Br)cc1
InChIInChI=1S/C16H24BrNO/c1-11(2)16(19)15(9-10-18-12(3)4)13-5-7-14(17)8-6-13/h5-8,11-12,15,18H,9-10H2,1-4H3/t15-/m1/s1
InChIKeyRLQQJQNJQHZIPI-OAHLLOKOSA-N
MW326.28 g/mol
LogP4.15
Rot. Bonds7

About (4R)-4-(4-bromophenyl)-2-methyl-6-(propan-2-ylamino)hexan-3-one

(4R)-4-(4-bromophenyl)-2-methyl-6-(propan-2-ylamino)hexan-3-one (PubChem CID 59670771) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is (4R)-4-(4-bromophenyl)-2-methyl-6-(propan-2-ylamino)hexan-3-one.

Molecular Properties

Compound Name(4R)-4-(4-bromophenyl)-2-methyl-6-(propan-2-ylamino)hexan-3-one
PubChem CID59670771
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name(4R)-4-(4-bromophenyl)-2-methyl-6-(propan-2-ylamino)hexan-3-one
SMILESCC(C)NCC[C@@H](C(=O)C(C)C)c1ccc(Br)cc1
InChIInChI=1S/C16H24BrNO/c1-11(2)16(19)15(9-10-18-12(3)4)13-5-7-14(17)8-6-13/h5-8,11-12,15,18H,9-10H2,1-4H3/t15-/m1/s1
InChIKeyRLQQJQNJQHZIPI-OAHLLOKOSA-N
XLogP4.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4-bromophenyl)-4-methyl-1-(propan-2-ylamino)pentan-3-one
CID 59671117
(4R)-4-(4-bromophenyl)-6-(2-hydroxyethylamino)-2-methylhexan-3-one
CID 59670956
(2S)-2-(4-bromophenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine
CID 58458206
4-bromo-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62657874
2-[[3-(4-bromophenyl)-4-oxopentyl]amino]acetamide
CID 77427142
(2R)-2-(4-bromophenyl)butanoic acid
CID 38988623
3-[[(1R)-1-(4-bromophenyl)ethyl]amino]propanamide
CID 81359953
(2S)-2-(4-bromophenyl)-4-methyl-3-oxopentanenitrile
CID 93260204
N-[2-(5-bromo-2-methylphenyl)ethyl]propan-2-amine
CID 82648119
3-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 113436567
methyl 2-(4-bromophenyl)-3-methoxypropanoate
CID 117245340
2-(aminomethyl)-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methylbutanamide
CID 81360072

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-bromophenyl)-2-methyl-6-(propan-2-ylamino)hexan-3-one?
The IUPAC name of (4R)-4-(4-bromophenyl)-2-methyl-6-(propan-2-ylamino)hexan-3-one (CID 59670771) is (4R)-4-(4-bromophenyl)-2-methyl-6-(propan-2-ylamino)hexan-3-one.
What is the SMILES notation for (4R)-4-(4-bromophenyl)-2-methyl-6-(propan-2-ylamino)hexan-3-one?
The canonical SMILES for (4R)-4-(4-bromophenyl)-2-methyl-6-(propan-2-ylamino)hexan-3-one is CC(C)NCC[C@@H](C(=O)C(C)C)c1ccc(Br)cc1.
What is the InChIKey of (4R)-4-(4-bromophenyl)-2-methyl-6-(propan-2-ylamino)hexan-3-one?
The InChIKey is RLQQJQNJQHZIPI-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-11(2)16(19)15(9-10-18-12(3)4)13-5-7-14(17)8-6-13/h5-8,11-12,15,18H,9-10H2,1-4H3/t15-/m1/s1.
What are the key properties of (4R)-4-(4-bromophenyl)-2-methyl-6-(propan-2-ylamino)hexan-3-one?
(4R)-4-(4-bromophenyl)-2-methyl-6-(propan-2-ylamino)hexan-3-one has a molecular weight of 326.28 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-bromophenyl)-2-methyl-6-(propan-2-ylamino)hexan-3-one is sourced from PubChem (CID 59670771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).