N-[1-(4-bromophenyl)propyl]-2,3-dichloroaniline

C15H14BrCl2N — CID 43102521

IUPACN-[1-(4-bromophenyl)propyl]-2,3-dichloroaniline
SMILESCCC(Nc1cccc(Cl)c1Cl)c1ccc(Br)cc1
InChIInChI=1S/C15H14BrCl2N/c1-2-13(10-6-8-11(16)9-7-10)19-14-5-3-4-12(17)15(14)18/h3-9,13,19H,2H2,1H3
InChIKeyUNHHJVANQHSDFZ-UHFFFAOYSA-N
MW359.09 g/mol
LogP6.32
Rot. Bonds4

About N-[1-(4-bromophenyl)propyl]-2,3-dichloroaniline

N-[1-(4-bromophenyl)propyl]-2,3-dichloroaniline (PubChem CID 43102521) has the molecular formula C15H14BrCl2N and a molecular weight of 359.09 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)propyl]-2,3-dichloroaniline.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)propyl]-2,3-dichloroaniline
PubChem CID43102521
Molecular FormulaC15H14BrCl2N
Molecular Weight359.09 g/mol
Exact Mass356.97
IUPAC NameN-[1-(4-bromophenyl)propyl]-2,3-dichloroaniline
SMILESCCC(Nc1cccc(Cl)c1Cl)c1ccc(Br)cc1
InChIInChI=1S/C15H14BrCl2N/c1-2-13(10-6-8-11(16)9-7-10)19-14-5-3-4-12(17)15(14)18/h3-9,13,19H,2H2,1H3
InChIKeyUNHHJVANQHSDFZ-UHFFFAOYSA-N
XLogP6.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.09
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-bromophenyl)propyl]-2-chloropyridin-3-amine
CID 43689806
N-[1-(4-bromophenyl)propyl]-2,5-dichloro-4-methylaniline
CID 104726445
2-chloro-N-(1-phenylpropyl)aniline
CID 43105652
N-[1-(4-bromophenyl)propyl]-2-chloro-4-fluoroaniline
CID 43150469
1-(4-bromophenyl)-N-(2-chlorophenyl)ethane-1,2-diamine
CID 65378132
N-[1-(4-bromophenyl)propyl]-2-[(dimethylamino)methyl]aniline
CID 43750075
N-(2,3-dichlorophenyl)-N'-(1-phenylpropyl)ethane-1,2-diamine
CID 54809490
N-[1-(4-bromophenyl)propyl]-2-nitroaniline
CID 43218014
2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(2-chlorophenyl)acetamide
CID 9263506
2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(2-chlorophenyl)acetamide
CID 9263511
N-[1-(4-bromophenyl)propyl]-3-chloro-4-methylaniline
CID 43111547
2-bromo-N-[1-(4-bromophenyl)propyl]-4-methylaniline
CID 43096177

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)propyl]-2,3-dichloroaniline?
The IUPAC name of N-[1-(4-bromophenyl)propyl]-2,3-dichloroaniline (CID 43102521) is N-[1-(4-bromophenyl)propyl]-2,3-dichloroaniline.
What is the SMILES notation for N-[1-(4-bromophenyl)propyl]-2,3-dichloroaniline?
The canonical SMILES for N-[1-(4-bromophenyl)propyl]-2,3-dichloroaniline is CCC(Nc1cccc(Cl)c1Cl)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)propyl]-2,3-dichloroaniline?
The InChIKey is UNHHJVANQHSDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrCl2N/c1-2-13(10-6-8-11(16)9-7-10)19-14-5-3-4-12(17)15(14)18/h3-9,13,19H,2H2,1H3.
What are the key properties of N-[1-(4-bromophenyl)propyl]-2,3-dichloroaniline?
N-[1-(4-bromophenyl)propyl]-2,3-dichloroaniline has a molecular weight of 359.09 g/mol, XLogP of 6.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)propyl]-2,3-dichloroaniline is sourced from PubChem (CID 43102521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).