4-bromo-N-[1-(3-chlorophenyl)ethyl]-3-methylaniline

C15H15BrClN — CID 43105622

IUPAC4-bromo-N-[1-(3-chlorophenyl)ethyl]-3-methylaniline
SMILESCc1cc(NC(C)c2cccc(Cl)c2)ccc1Br
InChIInChI=1S/C15H15BrClN/c1-10-8-14(6-7-15(10)16)18-11(2)12-4-3-5-13(17)9-12/h3-9,11,18H,1-2H3
InChIKeyOTGSGVDSILSUNY-UHFFFAOYSA-N
MW324.65 g/mol
LogP5.58
Rot. Bonds3

About 4-bromo-N-[1-(3-chlorophenyl)ethyl]-3-methylaniline

4-bromo-N-[1-(3-chlorophenyl)ethyl]-3-methylaniline (PubChem CID 43105622) has the molecular formula C15H15BrClN and a molecular weight of 324.65 g/mol. Its IUPAC name is 4-bromo-N-[1-(3-chlorophenyl)ethyl]-3-methylaniline.

Molecular Properties

Compound Name4-bromo-N-[1-(3-chlorophenyl)ethyl]-3-methylaniline
PubChem CID43105622
Molecular FormulaC15H15BrClN
Molecular Weight324.65 g/mol
Exact Mass323.01
IUPAC Name4-bromo-N-[1-(3-chlorophenyl)ethyl]-3-methylaniline
SMILESCc1cc(NC(C)c2cccc(Cl)c2)ccc1Br
InChIInChI=1S/C15H15BrClN/c1-10-8-14(6-7-15(10)16)18-11(2)12-4-3-5-13(17)9-12/h3-9,11,18H,1-2H3
InChIKeyOTGSGVDSILSUNY-UHFFFAOYSA-N
XLogP5.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.65
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-[1-(3-chlorophenyl)ethyl]aniline
CID 43100997
N-[1-(3-chlorophenyl)ethyl]-4-propan-2-ylaniline
CID 43101592
4-bromo-N-[1-(2,5-dichlorophenyl)ethyl]-3-methylaniline
CID 43110743
2-bromo-N-[1-(3-chlorophenyl)ethyl]-5-methylaniline
CID 82761850
3,5-dichloro-N-[1-(3-chlorophenyl)ethyl]aniline
CID 43106074
2-bromo-5-chloro-N-[1-(3-chlorophenyl)ethyl]-4-methylaniline
CID 104723041
N-[1-(3-chlorophenyl)ethyl]-3-fluoroaniline
CID 43104012
4-bromo-N-[1-(4-fluorophenyl)ethyl]-3-methylaniline
CID 43080628
N-[1-(3-chlorophenyl)ethyl]-3,5-difluoroaniline
CID 43094786
[3-[1-(3-chlorophenyl)ethylamino]phenyl]methanol
CID 43715072
N-[1-(3-chlorophenyl)ethyl]-4-fluoro-3-methoxyaniline
CID 114838027
2-amino-4-[1-(3-chlorophenyl)ethylamino]benzenesulfonamide
CID 79466950

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(3-chlorophenyl)ethyl]-3-methylaniline?
The IUPAC name of 4-bromo-N-[1-(3-chlorophenyl)ethyl]-3-methylaniline (CID 43105622) is 4-bromo-N-[1-(3-chlorophenyl)ethyl]-3-methylaniline.
What is the SMILES notation for 4-bromo-N-[1-(3-chlorophenyl)ethyl]-3-methylaniline?
The canonical SMILES for 4-bromo-N-[1-(3-chlorophenyl)ethyl]-3-methylaniline is Cc1cc(NC(C)c2cccc(Cl)c2)ccc1Br.
What is the InChIKey of 4-bromo-N-[1-(3-chlorophenyl)ethyl]-3-methylaniline?
The InChIKey is OTGSGVDSILSUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN/c1-10-8-14(6-7-15(10)16)18-11(2)12-4-3-5-13(17)9-12/h3-9,11,18H,1-2H3.
What are the key properties of 4-bromo-N-[1-(3-chlorophenyl)ethyl]-3-methylaniline?
4-bromo-N-[1-(3-chlorophenyl)ethyl]-3-methylaniline has a molecular weight of 324.65 g/mol, XLogP of 5.58, 3 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)ethyl]-3-methylaniline is sourced from PubChem (CID 43105622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).