1-(4-bromophenyl)-3-[pentyl(propan-2-yl)amino]propan-1-one

C17H26BrNO — CID 63484274

IUPAC1-(4-bromophenyl)-3-[pentyl(propan-2-yl)amino]propan-1-one
SMILESCCCCCN(CCC(=O)c1ccc(Br)cc1)C(C)C
InChIInChI=1S/C17H26BrNO/c1-4-5-6-12-19(14(2)3)13-11-17(20)15-7-9-16(18)10-8-15/h7-10,14H,4-6,11-13H2,1-3H3
InChIKeyNZFDVUZFQATXIY-UHFFFAOYSA-N
MW340.31 g/mol
LogP4.92
Rot. Bonds9

About 1-(4-bromophenyl)-3-[pentyl(propan-2-yl)amino]propan-1-one

1-(4-bromophenyl)-3-[pentyl(propan-2-yl)amino]propan-1-one (PubChem CID 63484274) has the molecular formula C17H26BrNO and a molecular weight of 340.31 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-[pentyl(propan-2-yl)amino]propan-1-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-[pentyl(propan-2-yl)amino]propan-1-one
PubChem CID63484274
Molecular FormulaC17H26BrNO
Molecular Weight340.31 g/mol
Exact Mass339.12
IUPAC Name1-(4-bromophenyl)-3-[pentyl(propan-2-yl)amino]propan-1-one
SMILESCCCCCN(CCC(=O)c1ccc(Br)cc1)C(C)C
InChIInChI=1S/C17H26BrNO/c1-4-5-6-12-19(14(2)3)13-11-17(20)15-7-9-16(18)10-8-15/h7-10,14H,4-6,11-13H2,1-3H3
InChIKeyNZFDVUZFQATXIY-UHFFFAOYSA-N
XLogP4.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromophenyl)-4-[2-methylpropyl(propan-2-yl)amino]butan-1-one
CID 63565755
1-(4-bromophenyl)pentan-1-one;2-fluoropropane
CID 143849337
(1R)-1-(4-bromophenyl)hexan-1-ol;1-(4-bromophenyl)hexan-1-one
CID 159543054
1-(4-fluorophenyl)-3-[3-hydroxypropyl(propan-2-yl)amino]propan-1-one
CID 62031112
1-[4-(4-bromobenzoyl)phenyl]nonan-1-one
CID 158169375
N-(4-bromophenyl)-N'-pentyl-N'-propan-2-ylethane-1,2-diamine
CID 55195304
4-bromo-N,N-dipentylbenzamide
CID 4599077
1-(4-bromophenyl)-4-[butyl(2-hydroxyethyl)amino]butan-1-one
CID 60689568
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)-4-[methyl(pentan-3-yl)amino]butan-1-one
CID 43793128

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-[pentyl(propan-2-yl)amino]propan-1-one?
The IUPAC name of 1-(4-bromophenyl)-3-[pentyl(propan-2-yl)amino]propan-1-one (CID 63484274) is 1-(4-bromophenyl)-3-[pentyl(propan-2-yl)amino]propan-1-one.
What is the SMILES notation for 1-(4-bromophenyl)-3-[pentyl(propan-2-yl)amino]propan-1-one?
The canonical SMILES for 1-(4-bromophenyl)-3-[pentyl(propan-2-yl)amino]propan-1-one is CCCCCN(CCC(=O)c1ccc(Br)cc1)C(C)C.
What is the InChIKey of 1-(4-bromophenyl)-3-[pentyl(propan-2-yl)amino]propan-1-one?
The InChIKey is NZFDVUZFQATXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-4-5-6-12-19(14(2)3)13-11-17(20)15-7-9-16(18)10-8-15/h7-10,14H,4-6,11-13H2,1-3H3.
What are the key properties of 1-(4-bromophenyl)-3-[pentyl(propan-2-yl)amino]propan-1-one?
1-(4-bromophenyl)-3-[pentyl(propan-2-yl)amino]propan-1-one has a molecular weight of 340.31 g/mol, XLogP of 4.92, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-[pentyl(propan-2-yl)amino]propan-1-one is sourced from PubChem (CID 63484274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).