1-(4-bromophenyl)-3-[2-hydroxyethyl(propyl)amino]propan-1-one

C14H20BrNO2 — CID 62612995

IUPAC1-(4-bromophenyl)-3-[2-hydroxyethyl(propyl)amino]propan-1-one
SMILESCCCN(CCO)CCC(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H20BrNO2/c1-2-8-16(10-11-17)9-7-14(18)12-3-5-13(15)6-4-12/h3-6,17H,2,7-11H2,1H3
InChIKeyZATCJBMQJPFSNJ-UHFFFAOYSA-N
MW314.22 g/mol
LogP2.73
Rot. Bonds8

About 1-(4-bromophenyl)-3-[2-hydroxyethyl(propyl)amino]propan-1-one

1-(4-bromophenyl)-3-[2-hydroxyethyl(propyl)amino]propan-1-one (PubChem CID 62612995) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-[2-hydroxyethyl(propyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-[2-hydroxyethyl(propyl)amino]propan-1-one
PubChem CID62612995
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name1-(4-bromophenyl)-3-[2-hydroxyethyl(propyl)amino]propan-1-one
SMILESCCCN(CCO)CCC(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H20BrNO2/c1-2-8-16(10-11-17)9-7-14(18)12-3-5-13(15)6-4-12/h3-6,17H,2,7-11H2,1H3
InChIKeyZATCJBMQJPFSNJ-UHFFFAOYSA-N
XLogP2.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-4-[butyl(2-hydroxyethyl)amino]butan-1-one
CID 60689568
3-[bis(2-hydroxyethyl)amino]-1-phenylpropan-1-one
CID 62611924
3-[ethyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 62052603
3-[ethyl(propyl)amino]-1-phenylpropan-1-one
CID 62614249
1-(4-bromophenyl)-3-[pentyl(propan-2-yl)amino]propan-1-one
CID 63484274
N-(4-acetylphenyl)-3-[2-hydroxyethyl(propyl)amino]propanamide
CID 110935819
3-(dibutylamino)-1-phenylpropan-1-one
CID 62614247
3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(4-methylphenyl)propan-1-one
CID 107486425
1-(3-bromophenyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-one
CID 62612328
1-(4-bromophenyl)ethanone;butane
CID 69403420
1-[4-(4-bromobenzoyl)phenyl]nonan-1-one
CID 158169375
1-(4-bromophenyl)pentan-1-one;2-fluoropropane
CID 143849337

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-[2-hydroxyethyl(propyl)amino]propan-1-one?
The IUPAC name of 1-(4-bromophenyl)-3-[2-hydroxyethyl(propyl)amino]propan-1-one (CID 62612995) is 1-(4-bromophenyl)-3-[2-hydroxyethyl(propyl)amino]propan-1-one.
What is the SMILES notation for 1-(4-bromophenyl)-3-[2-hydroxyethyl(propyl)amino]propan-1-one?
The canonical SMILES for 1-(4-bromophenyl)-3-[2-hydroxyethyl(propyl)amino]propan-1-one is CCCN(CCO)CCC(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-[2-hydroxyethyl(propyl)amino]propan-1-one?
The InChIKey is ZATCJBMQJPFSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-2-8-16(10-11-17)9-7-14(18)12-3-5-13(15)6-4-12/h3-6,17H,2,7-11H2,1H3.
What are the key properties of 1-(4-bromophenyl)-3-[2-hydroxyethyl(propyl)amino]propan-1-one?
1-(4-bromophenyl)-3-[2-hydroxyethyl(propyl)amino]propan-1-one has a molecular weight of 314.22 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-[2-hydroxyethyl(propyl)amino]propan-1-one is sourced from PubChem (CID 62612995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).