4-bromo-N-[1-(4-chlorophenyl)butyl]-2-methylaniline

C17H19BrClN — CID 43095521

IUPAC4-bromo-N-[1-(4-chlorophenyl)butyl]-2-methylaniline
SMILESCCCC(Nc1ccc(Br)cc1C)c1ccc(Cl)cc1
InChIInChI=1S/C17H19BrClN/c1-3-4-17(13-5-8-15(19)9-6-13)20-16-10-7-14(18)11-12(16)2/h5-11,17,20H,3-4H2,1-2H3
InChIKeyKEKCCDLKQJBWTP-UHFFFAOYSA-N
MW352.70 g/mol
LogP6.36
Rot. Bonds5

About 4-bromo-N-[1-(4-chlorophenyl)butyl]-2-methylaniline

4-bromo-N-[1-(4-chlorophenyl)butyl]-2-methylaniline (PubChem CID 43095521) has the molecular formula C17H19BrClN and a molecular weight of 352.70 g/mol. Its IUPAC name is 4-bromo-N-[1-(4-chlorophenyl)butyl]-2-methylaniline.

Molecular Properties

Compound Name4-bromo-N-[1-(4-chlorophenyl)butyl]-2-methylaniline
PubChem CID43095521
Molecular FormulaC17H19BrClN
Molecular Weight352.70 g/mol
Exact Mass351.04
IUPAC Name4-bromo-N-[1-(4-chlorophenyl)butyl]-2-methylaniline
SMILESCCCC(Nc1ccc(Br)cc1C)c1ccc(Cl)cc1
InChIInChI=1S/C17H19BrClN/c1-3-4-17(13-5-8-15(19)9-6-13)20-16-10-7-14(18)11-12(16)2/h5-11,17,20H,3-4H2,1-2H3
InChIKeyKEKCCDLKQJBWTP-UHFFFAOYSA-N
XLogP6.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.70
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-chlorophenyl)butyl]-2-methoxy-5-methylaniline
CID 43107521
N-[1-(4-chlorophenyl)butyl]-4-fluoro-2-methoxyaniline
CID 63454836
4-bromo-2-methyl-N-undecan-6-ylaniline
CID 63419193
5-bromo-2-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43555238
5-bromo-2-(1-phenylbutylamino)benzonitrile
CID 82708742
2,6-dichloro-N-[1-(4-chlorophenyl)butyl]aniline
CID 65467204
N-[1-(4-bromophenyl)propyl]-4-methoxy-2-methylaniline
CID 63476866
N'-[1-(4-chlorophenyl)butyl]ethane-1,2-diamine
CID 60888732
5-bromo-2-fluoro-N-[1-(4-methylphenyl)propyl]aniline
CID 43555340
N-[1-(4-bromophenyl)propyl]-2,5-dichloro-4-methylaniline
CID 104726445
N-[1-(4-chlorophenyl)butyl]pyrimidin-5-amine
CID 107587805
N-[1-(4-bromophenyl)propyl]-2-chloro-4-fluoroaniline
CID 43150469

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(4-chlorophenyl)butyl]-2-methylaniline?
The IUPAC name of 4-bromo-N-[1-(4-chlorophenyl)butyl]-2-methylaniline (CID 43095521) is 4-bromo-N-[1-(4-chlorophenyl)butyl]-2-methylaniline.
What is the SMILES notation for 4-bromo-N-[1-(4-chlorophenyl)butyl]-2-methylaniline?
The canonical SMILES for 4-bromo-N-[1-(4-chlorophenyl)butyl]-2-methylaniline is CCCC(Nc1ccc(Br)cc1C)c1ccc(Cl)cc1.
What is the InChIKey of 4-bromo-N-[1-(4-chlorophenyl)butyl]-2-methylaniline?
The InChIKey is KEKCCDLKQJBWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClN/c1-3-4-17(13-5-8-15(19)9-6-13)20-16-10-7-14(18)11-12(16)2/h5-11,17,20H,3-4H2,1-2H3.
What are the key properties of 4-bromo-N-[1-(4-chlorophenyl)butyl]-2-methylaniline?
4-bromo-N-[1-(4-chlorophenyl)butyl]-2-methylaniline has a molecular weight of 352.70 g/mol, XLogP of 6.36, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(4-chlorophenyl)butyl]-2-methylaniline is sourced from PubChem (CID 43095521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).