1-(4-bromophenyl)-4-[butyl(2-hydroxyethyl)amino]butan-1-one

C16H24BrNO2 — CID 60689568

IUPAC1-(4-bromophenyl)-4-[butyl(2-hydroxyethyl)amino]butan-1-one
SMILESCCCCN(CCO)CCCC(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H24BrNO2/c1-2-3-10-18(12-13-19)11-4-5-16(20)14-6-8-15(17)9-7-14/h6-9,19H,2-5,10-13H2,1H3
InChIKeyCHQJZDRZHKFZES-UHFFFAOYSA-N
MW342.28 g/mol
LogP3.51
Rot. Bonds10

About 1-(4-bromophenyl)-4-[butyl(2-hydroxyethyl)amino]butan-1-one

1-(4-bromophenyl)-4-[butyl(2-hydroxyethyl)amino]butan-1-one (PubChem CID 60689568) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is 1-(4-bromophenyl)-4-[butyl(2-hydroxyethyl)amino]butan-1-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-4-[butyl(2-hydroxyethyl)amino]butan-1-one
PubChem CID60689568
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC Name1-(4-bromophenyl)-4-[butyl(2-hydroxyethyl)amino]butan-1-one
SMILESCCCCN(CCO)CCCC(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H24BrNO2/c1-2-3-10-18(12-13-19)11-4-5-16(20)14-6-8-15(17)9-7-14/h6-9,19H,2-5,10-13H2,1H3
InChIKeyCHQJZDRZHKFZES-UHFFFAOYSA-N
XLogP3.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-3-[2-hydroxyethyl(propyl)amino]propan-1-one
CID 62612995
4-[bis(2-methylpropyl)amino]-1-(4-bromophenyl)butan-1-one
CID 63567345
1-(4-bromophenyl)-4-[ethyl(2-methylpropyl)amino]butan-1-one
CID 43793005
1-(4-bromophenyl)pentan-1-one;2-fluoropropane
CID 143849337
1-[4-(4-bromobenzoyl)phenyl]nonan-1-one
CID 158169375
1-(4-bromophenyl)-4-[methyl(pentan-3-yl)amino]butan-1-one
CID 43793128
3-(dibutylamino)-1-phenylpropan-1-one
CID 62614247
1-[4-(4-bromophenyl)phenyl]-4-(dimethylamino)butan-1-one chloride
CID 57388918
1-(4-bromophenyl)-3-[pentyl(propan-2-yl)amino]propan-1-one
CID 63484274
2-[butyl(2-hydroxyethyl)amino]ethanol
CID 23103220
1-(4-bromophenyl)-4-(N-methylanilino)butan-1-one
CID 43229292
4-(diethylamino)-1-(4-hydroxyphenyl)butan-1-one
CID 141149368

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-4-[butyl(2-hydroxyethyl)amino]butan-1-one?
The IUPAC name of 1-(4-bromophenyl)-4-[butyl(2-hydroxyethyl)amino]butan-1-one (CID 60689568) is 1-(4-bromophenyl)-4-[butyl(2-hydroxyethyl)amino]butan-1-one.
What is the SMILES notation for 1-(4-bromophenyl)-4-[butyl(2-hydroxyethyl)amino]butan-1-one?
The canonical SMILES for 1-(4-bromophenyl)-4-[butyl(2-hydroxyethyl)amino]butan-1-one is CCCCN(CCO)CCCC(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-4-[butyl(2-hydroxyethyl)amino]butan-1-one?
The InChIKey is CHQJZDRZHKFZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2/c1-2-3-10-18(12-13-19)11-4-5-16(20)14-6-8-15(17)9-7-14/h6-9,19H,2-5,10-13H2,1H3.
What are the key properties of 1-(4-bromophenyl)-4-[butyl(2-hydroxyethyl)amino]butan-1-one?
1-(4-bromophenyl)-4-[butyl(2-hydroxyethyl)amino]butan-1-one has a molecular weight of 342.28 g/mol, XLogP of 3.51, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-4-[butyl(2-hydroxyethyl)amino]butan-1-one is sourced from PubChem (CID 60689568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).