1-(4-bromophenyl)-N-(3-propoxypropyl)propan-1-amine

C15H24BrNO — CID 82941084

IUPAC1-(4-bromophenyl)-N-(3-propoxypropyl)propan-1-amine
SMILESCCCOCCCNC(CC)c1ccc(Br)cc1
InChIInChI=1S/C15H24BrNO/c1-3-11-18-12-5-10-17-15(4-2)13-6-8-14(16)9-7-13/h6-9,15,17H,3-5,10-12H2,1-2H3
InChIKeyJPRLXVMLRYGBSW-UHFFFAOYSA-N
MW314.27 g/mol
LogP4.31
Rot. Bonds9

About 1-(4-bromophenyl)-N-(3-propoxypropyl)propan-1-amine

1-(4-bromophenyl)-N-(3-propoxypropyl)propan-1-amine (PubChem CID 82941084) has the molecular formula C15H24BrNO and a molecular weight of 314.27 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(3-propoxypropyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(3-propoxypropyl)propan-1-amine
PubChem CID82941084
Molecular FormulaC15H24BrNO
Molecular Weight314.27 g/mol
Exact Mass313.10
IUPAC Name1-(4-bromophenyl)-N-(3-propoxypropyl)propan-1-amine
SMILESCCCOCCCNC(CC)c1ccc(Br)cc1
InChIInChI=1S/C15H24BrNO/c1-3-11-18-12-5-10-17-15(4-2)13-6-8-14(16)9-7-13/h6-9,15,17H,3-5,10-12H2,1-2H3
InChIKeyJPRLXVMLRYGBSW-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 54.31
H-Bond Donors ≤ 51
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)-N-[2-(3-methylbutoxy)ethyl]propan-1-amine
CID 63477064
1-[4-(4-bromophenyl)phenyl]-N-propylpropan-1-amine
CID 63888912
1-(3-bromophenyl)-N-[3-(2-methoxyethoxy)propyl]propan-1-amine
CID 43770902
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-propoxypropyl)propan-1-amine
CID 82941487
5-[1-(4-bromophenyl)propylamino]pentan-2-ol
CID 107270293
1-(4-bromophenyl)-N-(2-propoxyethyl)ethanamine
CID 106451818
N-[3-[1-(4-bromophenyl)propylamino]propyl]methanesulfonamide
CID 103776673
1-(4-bromophenyl)-N-butylbut-3-en-1-amine
CID 177091582
1-(4-bromophenyl)-N-(3-pyrazol-1-ylpropyl)propan-1-amine
CID 112700089
4-[1-(3-propoxypropylamino)ethyl]phenol
CID 82941450
N-[2-(4-bromophenyl)-2-(2-propoxyethoxy)ethyl]-2-methylpropan-2-amine
CID 63686186
N-[3-(2-methoxyethoxy)propyl]-1-phenylbutan-1-amine
CID 43206929

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-(3-propoxypropyl)propan-1-amine?
The IUPAC name of 1-(4-bromophenyl)-N-(3-propoxypropyl)propan-1-amine (CID 82941084) is 1-(4-bromophenyl)-N-(3-propoxypropyl)propan-1-amine.
What is the SMILES notation for 1-(4-bromophenyl)-N-(3-propoxypropyl)propan-1-amine?
The canonical SMILES for 1-(4-bromophenyl)-N-(3-propoxypropyl)propan-1-amine is CCCOCCCNC(CC)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-(3-propoxypropyl)propan-1-amine?
The InChIKey is JPRLXVMLRYGBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO/c1-3-11-18-12-5-10-17-15(4-2)13-6-8-14(16)9-7-13/h6-9,15,17H,3-5,10-12H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-N-(3-propoxypropyl)propan-1-amine?
1-(4-bromophenyl)-N-(3-propoxypropyl)propan-1-amine has a molecular weight of 314.27 g/mol, XLogP of 4.31, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-(3-propoxypropyl)propan-1-amine is sourced from PubChem (CID 82941084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).