N-[1-(3-bromophenyl)propyl]butan-1-amine

C13H20BrN — CID 43759360

IUPACN-[1-(3-bromophenyl)propyl]butan-1-amine
SMILESCCCCNC(CC)c1cccc(Br)c1
InChIInChI=1S/C13H20BrN/c1-3-5-9-15-13(4-2)11-7-6-8-12(14)10-11/h6-8,10,13,15H,3-5,9H2,1-2H3
InChIKeyOLKLUCUJRJMFEG-UHFFFAOYSA-N
MW270.21 g/mol
LogP4.29
Rot. Bonds6

About N-[1-(3-bromophenyl)propyl]butan-1-amine

N-[1-(3-bromophenyl)propyl]butan-1-amine (PubChem CID 43759360) has the molecular formula C13H20BrN and a molecular weight of 270.21 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)propyl]butan-1-amine.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)propyl]butan-1-amine
PubChem CID43759360
Molecular FormulaC13H20BrN
Molecular Weight270.21 g/mol
Exact Mass269.08
IUPAC NameN-[1-(3-bromophenyl)propyl]butan-1-amine
SMILESCCCCNC(CC)c1cccc(Br)c1
InChIInChI=1S/C13H20BrN/c1-3-5-9-15-13(4-2)11-7-6-8-12(14)10-11/h6-8,10,13,15H,3-5,9H2,1-2H3
InChIKeyOLKLUCUJRJMFEG-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3-bromophenyl)ethyl]butan-1-amine
CID 43192396
1-(3-bromophenyl)-N-[3-(2-methoxyethoxy)propyl]propan-1-amine
CID 43770902
1-(3-bromophenyl)-N-(2-phenylethyl)propan-1-amine
CID 43761869
1-(3-bromophenyl)-N-propyldecan-1-amine
CID 63413098
1-(3-bromophenyl)-N-(2-ethylsulfinylethyl)propan-1-amine
CID 115718977
N-[2-[1-(3-bromophenyl)propylamino]ethyl]-2-methylpropanamide
CID 43767682
3-[2-[1-(3-bromophenyl)propylamino]ethylsulfanyl]propan-1-ol
CID 113261268
N-[1-(3-bromophenyl)propyl]but-2-yn-1-amine
CID 115897043
(2R)-1-[[(1R)-1-(3-bromophenyl)propyl]amino]propan-2-ol
CID 93288110
1-(3-bromophenyl)-N-[2-(2,2-difluoroethoxy)ethyl]propan-1-amine
CID 103082647
1-(3-bromophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine
CID 62039401
1-(3-bromophenyl)-N-propylbut-3-yn-1-amine
CID 62235331

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)propyl]butan-1-amine?
The IUPAC name of N-[1-(3-bromophenyl)propyl]butan-1-amine (CID 43759360) is N-[1-(3-bromophenyl)propyl]butan-1-amine.
What is the SMILES notation for N-[1-(3-bromophenyl)propyl]butan-1-amine?
The canonical SMILES for N-[1-(3-bromophenyl)propyl]butan-1-amine is CCCCNC(CC)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)propyl]butan-1-amine?
The InChIKey is OLKLUCUJRJMFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN/c1-3-5-9-15-13(4-2)11-7-6-8-12(14)10-11/h6-8,10,13,15H,3-5,9H2,1-2H3.
What are the key properties of N-[1-(3-bromophenyl)propyl]butan-1-amine?
N-[1-(3-bromophenyl)propyl]butan-1-amine has a molecular weight of 270.21 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)propyl]butan-1-amine is sourced from PubChem (CID 43759360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).