4-bromo-N-[1-(3-chlorophenyl)propyl]aniline

C15H15BrClN — CID 43101702

IUPAC4-bromo-N-[1-(3-chlorophenyl)propyl]aniline
SMILESCCC(Nc1ccc(Br)cc1)c1cccc(Cl)c1
InChIInChI=1S/C15H15BrClN/c1-2-15(11-4-3-5-13(17)10-11)18-14-8-6-12(16)7-9-14/h3-10,15,18H,2H2,1H3
InChIKeyDJKIXDFMOOSADV-UHFFFAOYSA-N
MW324.65 g/mol
LogP5.67
Rot. Bonds4

About 4-bromo-N-[1-(3-chlorophenyl)propyl]aniline

4-bromo-N-[1-(3-chlorophenyl)propyl]aniline (PubChem CID 43101702) has the molecular formula C15H15BrClN and a molecular weight of 324.65 g/mol. Its IUPAC name is 4-bromo-N-[1-(3-chlorophenyl)propyl]aniline.

Molecular Properties

Compound Name4-bromo-N-[1-(3-chlorophenyl)propyl]aniline
PubChem CID43101702
Molecular FormulaC15H15BrClN
Molecular Weight324.65 g/mol
Exact Mass323.01
IUPAC Name4-bromo-N-[1-(3-chlorophenyl)propyl]aniline
SMILESCCC(Nc1ccc(Br)cc1)c1cccc(Cl)c1
InChIInChI=1S/C15H15BrClN/c1-2-15(11-4-3-5-13(17)10-11)18-14-8-6-12(16)7-9-14/h3-10,15,18H,2H2,1H3
InChIKeyDJKIXDFMOOSADV-UHFFFAOYSA-N
XLogP5.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.65
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3-bromophenyl)propyl]-3-chloroaniline
CID 43762074
4-bromo-N-[1-(3-fluorophenyl)propyl]aniline
CID 114871024
4-[1-(3-chlorophenyl)propylamino]benzoic acid
CID 43321653
4-[1-(3-chlorophenyl)propylamino]benzamide
CID 43192997
N-[1-(3-bromophenyl)propyl]-4-propan-2-ylaniline
CID 43760579
N-[1-(4-bromophenyl)propan-2-yl]-1-(3-chlorophenyl)propan-1-amine
CID 43695932
3-bromo-N-[1-(3-chlorophenyl)propyl]-4-nitroaniline
CID 82863384
N-[1-(3-chlorophenyl)propyl]-4-methoxy-3-methylaniline
CID 63455500
N-[1-(4-bromophenyl)propyl]-3-chloro-4-methylaniline
CID 43111547
N-[1-(3-chlorophenyl)propyl]-3-ethynylaniline
CID 43102881
2-bromo-N-[1-(3-chlorophenyl)propyl]-4-methylaniline
CID 43107792
N-[2-(4-bromophenyl)-1-(3-chlorophenyl)ethyl]propan-1-amine
CID 60819176

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(3-chlorophenyl)propyl]aniline?
The IUPAC name of 4-bromo-N-[1-(3-chlorophenyl)propyl]aniline (CID 43101702) is 4-bromo-N-[1-(3-chlorophenyl)propyl]aniline.
What is the SMILES notation for 4-bromo-N-[1-(3-chlorophenyl)propyl]aniline?
The canonical SMILES for 4-bromo-N-[1-(3-chlorophenyl)propyl]aniline is CCC(Nc1ccc(Br)cc1)c1cccc(Cl)c1.
What is the InChIKey of 4-bromo-N-[1-(3-chlorophenyl)propyl]aniline?
The InChIKey is DJKIXDFMOOSADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN/c1-2-15(11-4-3-5-13(17)10-11)18-14-8-6-12(16)7-9-14/h3-10,15,18H,2H2,1H3.
What are the key properties of 4-bromo-N-[1-(3-chlorophenyl)propyl]aniline?
4-bromo-N-[1-(3-chlorophenyl)propyl]aniline has a molecular weight of 324.65 g/mol, XLogP of 5.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(3-chlorophenyl)propyl]aniline is sourced from PubChem (CID 43101702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).