N-[1-(3-bromophenyl)propyl]-4-methoxyaniline

C16H18BrNO — CID 43766009

IUPACN-[1-(3-bromophenyl)propyl]-4-methoxyaniline
SMILESCCC(Nc1ccc(OC)cc1)c1cccc(Br)c1
InChIInChI=1S/C16H18BrNO/c1-3-16(12-5-4-6-13(17)11-12)18-14-7-9-15(19-2)10-8-14/h4-11,16,18H,3H2,1-2H3
InChIKeyFPQJAQLHSOFBHV-UHFFFAOYSA-N
MW320.23 g/mol
LogP5.02
Rot. Bonds5

About N-[1-(3-bromophenyl)propyl]-4-methoxyaniline

N-[1-(3-bromophenyl)propyl]-4-methoxyaniline (PubChem CID 43766009) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)propyl]-4-methoxyaniline.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)propyl]-4-methoxyaniline
PubChem CID43766009
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC NameN-[1-(3-bromophenyl)propyl]-4-methoxyaniline
SMILESCCC(Nc1ccc(OC)cc1)c1cccc(Br)c1
InChIInChI=1S/C16H18BrNO/c1-3-16(12-5-4-6-13(17)11-12)18-14-7-9-15(19-2)10-8-14/h4-11,16,18H,3H2,1-2H3
InChIKeyFPQJAQLHSOFBHV-UHFFFAOYSA-N
XLogP5.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.23
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N-[1-(3-bromophenyl)propyl]-4-methoxyaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-N-[1-(3-methoxyphenyl)propyl]aniline
CID 46204143
N-[1-(3-bromophenyl)propyl]-4-propan-2-ylaniline
CID 43760579
N-[1-(3-bromophenyl)propyl]-3-chloro-4-methoxyaniline
CID 43758118
N-[1-(3-bromophenyl)propyl]-2,5-dimethoxyaniline
CID 43760231
N-[1-(3-bromophenyl)propyl]-3-ethoxyaniline
CID 63453492
3-methoxy-N-[1-(4-methoxyphenyl)propyl]aniline
CID 43196395
N-[1-(3-bromophenyl)propyl]-4-nitroaniline
CID 43785825
N-[1-(3-bromophenyl)propyl]-3-chloroaniline
CID 43762074
5-[1-(3-bromophenyl)propylamino]-2-methylphenol
CID 107699992
1-(3-bromophenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 61064465
4-bromo-N-[1-(3-fluorophenyl)propyl]aniline
CID 114871024
4-bromo-N-[1-(3-chlorophenyl)propyl]aniline
CID 43101702

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)propyl]-4-methoxyaniline?
The IUPAC name of N-[1-(3-bromophenyl)propyl]-4-methoxyaniline (CID 43766009) is N-[1-(3-bromophenyl)propyl]-4-methoxyaniline.
What is the SMILES notation for N-[1-(3-bromophenyl)propyl]-4-methoxyaniline?
The canonical SMILES for N-[1-(3-bromophenyl)propyl]-4-methoxyaniline is CCC(Nc1ccc(OC)cc1)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)propyl]-4-methoxyaniline?
The InChIKey is FPQJAQLHSOFBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-3-16(12-5-4-6-13(17)11-12)18-14-7-9-15(19-2)10-8-14/h4-11,16,18H,3H2,1-2H3.
What are the key properties of N-[1-(3-bromophenyl)propyl]-4-methoxyaniline?
N-[1-(3-bromophenyl)propyl]-4-methoxyaniline has a molecular weight of 320.23 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)propyl]-4-methoxyaniline is sourced from PubChem (CID 43766009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).