N-[1-(4-bromophenyl)ethyl]-2-chloro-5-methoxyaniline

C15H15BrClNO — CID 55193327

IUPACN-[1-(4-bromophenyl)ethyl]-2-chloro-5-methoxyaniline
SMILESCOc1ccc(Cl)c(NC(C)c2ccc(Br)cc2)c1
InChIInChI=1S/C15H15BrClNO/c1-10(11-3-5-12(16)6-4-11)18-15-9-13(19-2)7-8-14(15)17/h3-10,18H,1-2H3
InChIKeyYJCSVKPEVUAPEK-UHFFFAOYSA-N
MW340.65 g/mol
LogP5.28
Rot. Bonds4

About N-[1-(4-bromophenyl)ethyl]-2-chloro-5-methoxyaniline

N-[1-(4-bromophenyl)ethyl]-2-chloro-5-methoxyaniline (PubChem CID 55193327) has the molecular formula C15H15BrClNO and a molecular weight of 340.65 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-2-chloro-5-methoxyaniline.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-2-chloro-5-methoxyaniline
PubChem CID55193327
Molecular FormulaC15H15BrClNO
Molecular Weight340.65 g/mol
Exact Mass339.00
IUPAC NameN-[1-(4-bromophenyl)ethyl]-2-chloro-5-methoxyaniline
SMILESCOc1ccc(Cl)c(NC(C)c2ccc(Br)cc2)c1
InChIInChI=1S/C15H15BrClNO/c1-10(11-3-5-12(16)6-4-11)18-15-9-13(19-2)7-8-14(15)17/h3-10,18H,1-2H3
InChIKeyYJCSVKPEVUAPEK-UHFFFAOYSA-N
XLogP5.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.65
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-5-methoxyaniline
CID 83058858
5-bromo-2-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]aniline
CID 63478614
2,5-dibromo-N-[1-(4-methoxyphenyl)ethyl]aniline
CID 43736803
4-bromo-N-[1-(4-methoxyphenyl)ethyl]-2-methylaniline
CID 43192054
4-bromo-2-fluoro-N-[1-(4-methoxyphenyl)ethyl]aniline
CID 43192619
5-bromo-2-chloro-N-(1-naphthalen-2-ylethyl)aniline
CID 63478602
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,5-dimethoxyaniline
CID 83058969
2-chloro-N-(1,1-difluoropropan-2-yl)-5-methoxyaniline
CID 102869387
3-bromo-N-[1-(4-bromophenyl)ethyl]-5-methoxyaniline
CID 82858148
5-bromo-3-chloro-N-[1-(4-methoxyphenyl)ethyl]pyridin-2-amine
CID 103582571
N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluoroaniline
CID 43150522
4-bromo-N-[1-(4-bromophenyl)ethyl]-2,6-dichloroaniline
CID 43126639

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-chloro-5-methoxyaniline?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-chloro-5-methoxyaniline (CID 55193327) is N-[1-(4-bromophenyl)ethyl]-2-chloro-5-methoxyaniline.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-2-chloro-5-methoxyaniline?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-2-chloro-5-methoxyaniline is COc1ccc(Cl)c(NC(C)c2ccc(Br)cc2)c1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-2-chloro-5-methoxyaniline?
The InChIKey is YJCSVKPEVUAPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO/c1-10(11-3-5-12(16)6-4-11)18-15-9-13(19-2)7-8-14(15)17/h3-10,18H,1-2H3.
What are the key properties of N-[1-(4-bromophenyl)ethyl]-2-chloro-5-methoxyaniline?
N-[1-(4-bromophenyl)ethyl]-2-chloro-5-methoxyaniline has a molecular weight of 340.65 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-2-chloro-5-methoxyaniline is sourced from PubChem (CID 55193327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).