N-[1-(3-bromophenyl)propyl]-3-chloroaniline

C15H15BrClN — CID 43762074

IUPACN-[1-(3-bromophenyl)propyl]-3-chloroaniline
SMILESCCC(Nc1cccc(Cl)c1)c1cccc(Br)c1
InChIInChI=1S/C15H15BrClN/c1-2-15(11-5-3-6-12(16)9-11)18-14-8-4-7-13(17)10-14/h3-10,15,18H,2H2,1H3
InChIKeyUPKDVNXYPSJJAH-UHFFFAOYSA-N
MW324.65 g/mol
LogP5.67
Rot. Bonds4

About N-[1-(3-bromophenyl)propyl]-3-chloroaniline

N-[1-(3-bromophenyl)propyl]-3-chloroaniline (PubChem CID 43762074) has the molecular formula C15H15BrClN and a molecular weight of 324.65 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)propyl]-3-chloroaniline.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)propyl]-3-chloroaniline
PubChem CID43762074
Molecular FormulaC15H15BrClN
Molecular Weight324.65 g/mol
Exact Mass323.01
IUPAC NameN-[1-(3-bromophenyl)propyl]-3-chloroaniline
SMILESCCC(Nc1cccc(Cl)c1)c1cccc(Br)c1
InChIInChI=1S/C15H15BrClN/c1-2-15(11-5-3-6-12(16)9-11)18-14-8-4-7-13(17)10-14/h3-10,15,18H,2H2,1H3
InChIKeyUPKDVNXYPSJJAH-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

2-(3-bromophenyl)-2-(3-chloroanilino)ethanol
CID 61050345
4-bromo-N-[1-(3-chlorophenyl)propyl]aniline
CID 43101702
N-[1-(3-bromophenyl)propyl]-4-propan-2-ylaniline
CID 43760579
N-[1-(3-bromophenyl)propyl]-3-ethoxyaniline
CID 63453492
N-[1-(3-bromophenyl)propyl]-3-chloro-4-methoxyaniline
CID 43758118
N-[1-(3-bromophenyl)propyl]-3-chloro-4-nitroaniline
CID 82865451
5-[1-(3-bromophenyl)propylamino]-2-methylphenol
CID 107699992
N-[1-(3-chlorophenyl)propyl]-3-ethynylaniline
CID 43102881
N-[1-(3-bromophenyl)propyl]-4-methoxyaniline
CID 43766009
3-bromo-N-[1-(4-fluorophenyl)propyl]aniline
CID 43098307
2-(3-chloroanilino)-2-(3-chlorophenyl)ethanol
CID 61049948
1-N-[1-(3-bromophenyl)propyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115377343

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)propyl]-3-chloroaniline?
The IUPAC name of N-[1-(3-bromophenyl)propyl]-3-chloroaniline (CID 43762074) is N-[1-(3-bromophenyl)propyl]-3-chloroaniline.
What is the SMILES notation for N-[1-(3-bromophenyl)propyl]-3-chloroaniline?
The canonical SMILES for N-[1-(3-bromophenyl)propyl]-3-chloroaniline is CCC(Nc1cccc(Cl)c1)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)propyl]-3-chloroaniline?
The InChIKey is UPKDVNXYPSJJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN/c1-2-15(11-5-3-6-12(16)9-11)18-14-8-4-7-13(17)10-14/h3-10,15,18H,2H2,1H3.
What are the key properties of N-[1-(3-bromophenyl)propyl]-3-chloroaniline?
N-[1-(3-bromophenyl)propyl]-3-chloroaniline 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 N-[1-(3-bromophenyl)propyl]-3-chloroaniline is sourced from PubChem (CID 43762074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).