4-bromo-N-[1-(2,5-dichlorophenyl)ethyl]-3-methylaniline

C15H14BrCl2N — CID 43110743

IUPAC4-bromo-N-[1-(2,5-dichlorophenyl)ethyl]-3-methylaniline
SMILESCc1cc(NC(C)c2cc(Cl)ccc2Cl)ccc1Br
InChIInChI=1S/C15H14BrCl2N/c1-9-7-12(4-5-14(9)16)19-10(2)13-8-11(17)3-6-15(13)18/h3-8,10,19H,1-2H3
InChIKeyHIWXFCJQPLTGKR-UHFFFAOYSA-N
MW359.09 g/mol
LogP6.24
Rot. Bonds3

About 4-bromo-N-[1-(2,5-dichlorophenyl)ethyl]-3-methylaniline

4-bromo-N-[1-(2,5-dichlorophenyl)ethyl]-3-methylaniline (PubChem CID 43110743) has the molecular formula C15H14BrCl2N and a molecular weight of 359.09 g/mol. Its IUPAC name is 4-bromo-N-[1-(2,5-dichlorophenyl)ethyl]-3-methylaniline.

Molecular Properties

Compound Name4-bromo-N-[1-(2,5-dichlorophenyl)ethyl]-3-methylaniline
PubChem CID43110743
Molecular FormulaC15H14BrCl2N
Molecular Weight359.09 g/mol
Exact Mass356.97
IUPAC Name4-bromo-N-[1-(2,5-dichlorophenyl)ethyl]-3-methylaniline
SMILESCc1cc(NC(C)c2cc(Cl)ccc2Cl)ccc1Br
InChIInChI=1S/C15H14BrCl2N/c1-9-7-12(4-5-14(9)16)19-10(2)13-8-11(17)3-6-15(13)18/h3-8,10,19H,1-2H3
InChIKeyHIWXFCJQPLTGKR-UHFFFAOYSA-N
XLogP6.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.09
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-4-methylaniline
CID 43106779
4-bromo-N-[1-(3-chlorophenyl)ethyl]-3-methylaniline
CID 43105622
N-[1-(2,5-dichlorophenyl)ethyl]naphthalen-2-amine
CID 43680270
2-chloro-4-N-[1-(2,5-dichlorophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,4-diamine
CID 63450910
N-[4-[1-(2,5-dichlorophenyl)ethylamino]phenyl]acetamide
CID 43111675
4-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methylaniline
CID 43104796
N-[1-(2,5-dichlorophenyl)ethyl]-3-propan-2-ylaniline
CID 43098941
3-[1-(2,5-dichlorophenyl)ethylamino]phenol
CID 43100532
5-bromo-2-chloro-N-[1-(2,5-dichlorophenyl)ethyl]aniline
CID 63478769
4-bromo-N-[1-(2-methoxyphenyl)ethyl]-3-methylaniline
CID 43192646
4-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-3-methoxyaniline
CID 82858118
N-[1-(4-bromo-2-chlorophenyl)ethyl]-3,4-dimethylaniline
CID 82774264

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(2,5-dichlorophenyl)ethyl]-3-methylaniline?
The IUPAC name of 4-bromo-N-[1-(2,5-dichlorophenyl)ethyl]-3-methylaniline (CID 43110743) is 4-bromo-N-[1-(2,5-dichlorophenyl)ethyl]-3-methylaniline.
What is the SMILES notation for 4-bromo-N-[1-(2,5-dichlorophenyl)ethyl]-3-methylaniline?
The canonical SMILES for 4-bromo-N-[1-(2,5-dichlorophenyl)ethyl]-3-methylaniline is Cc1cc(NC(C)c2cc(Cl)ccc2Cl)ccc1Br.
What is the InChIKey of 4-bromo-N-[1-(2,5-dichlorophenyl)ethyl]-3-methylaniline?
The InChIKey is HIWXFCJQPLTGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrCl2N/c1-9-7-12(4-5-14(9)16)19-10(2)13-8-11(17)3-6-15(13)18/h3-8,10,19H,1-2H3.
What are the key properties of 4-bromo-N-[1-(2,5-dichlorophenyl)ethyl]-3-methylaniline?
4-bromo-N-[1-(2,5-dichlorophenyl)ethyl]-3-methylaniline has a molecular weight of 359.09 g/mol, XLogP of 6.24, 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-(2,5-dichlorophenyl)ethyl]-3-methylaniline is sourced from PubChem (CID 43110743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).