4-chloro-N-[1-(2,4-dibromophenyl)ethyl]-2-methoxy-5-methylaniline

C16H16Br2ClNO — CID 60781299

IUPAC4-chloro-N-[1-(2,4-dibromophenyl)ethyl]-2-methoxy-5-methylaniline
SMILESCOc1cc(Cl)c(C)cc1NC(C)c1ccc(Br)cc1Br
InChIInChI=1S/C16H16Br2ClNO/c1-9-6-15(16(21-3)8-14(9)19)20-10(2)12-5-4-11(17)7-13(12)18/h4-8,10,20H,1-3H3
InChIKeyIZAQYEMQGJFYOW-UHFFFAOYSA-N
MW433.57 g/mol
LogP6.36
Rot. Bonds4

About 4-chloro-N-[1-(2,4-dibromophenyl)ethyl]-2-methoxy-5-methylaniline

4-chloro-N-[1-(2,4-dibromophenyl)ethyl]-2-methoxy-5-methylaniline (PubChem CID 60781299) has the molecular formula C16H16Br2ClNO and a molecular weight of 433.57 g/mol. Its IUPAC name is 4-chloro-N-[1-(2,4-dibromophenyl)ethyl]-2-methoxy-5-methylaniline.

Molecular Properties

Compound Name4-chloro-N-[1-(2,4-dibromophenyl)ethyl]-2-methoxy-5-methylaniline
PubChem CID60781299
Molecular FormulaC16H16Br2ClNO
Molecular Weight433.57 g/mol
Exact Mass430.93
IUPAC Name4-chloro-N-[1-(2,4-dibromophenyl)ethyl]-2-methoxy-5-methylaniline
SMILESCOc1cc(Cl)c(C)cc1NC(C)c1ccc(Br)cc1Br
InChIInChI=1S/C16H16Br2ClNO/c1-9-6-15(16(21-3)8-14(9)19)20-10(2)12-5-4-11(17)7-13(12)18/h4-8,10,20H,1-3H3
InChIKeyIZAQYEMQGJFYOW-UHFFFAOYSA-N
XLogP6.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.57
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-chloro-2-methoxy-5-methylanilino)ethyl]-5-methylphenol
CID 43103443
4-chloro-N-[1-(2,4-dibromophenyl)ethyl]pyridin-3-amine
CID 83167167
2-[1-(4-chloro-2-methoxy-5-methylanilino)ethyl]benzene-1,3-diol
CID 107710317
4-chloro-2-methoxy-5-methyl-N-(1-pyridin-4-ylethyl)aniline
CID 43191802
2,5-dichloro-N-[1-(2-methoxy-4-methylphenyl)ethyl]-4-methylaniline
CID 104726578
4-[1-(4-bromo-2-chlorophenyl)ethylamino]-3-methoxybenzonitrile
CID 104848354
4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-methylaniline
CID 82774797
1-[bromo-(2,4-dibromophenyl)methyl]-2-chloro-4,5-dimethoxybenzene
CID 107958777
5-bromo-N-[1-(2-methoxyphenyl)ethyl]-2-methylaniline
CID 43729543
5-bromo-2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 63455888
4-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)benzenesulfonamide
CID 60641377
4-bromo-3-chloro-N-[1-(2,4-dibromophenyl)ethyl]aniline
CID 107618828

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(2,4-dibromophenyl)ethyl]-2-methoxy-5-methylaniline?
The IUPAC name of 4-chloro-N-[1-(2,4-dibromophenyl)ethyl]-2-methoxy-5-methylaniline (CID 60781299) is 4-chloro-N-[1-(2,4-dibromophenyl)ethyl]-2-methoxy-5-methylaniline.
What is the SMILES notation for 4-chloro-N-[1-(2,4-dibromophenyl)ethyl]-2-methoxy-5-methylaniline?
The canonical SMILES for 4-chloro-N-[1-(2,4-dibromophenyl)ethyl]-2-methoxy-5-methylaniline is COc1cc(Cl)c(C)cc1NC(C)c1ccc(Br)cc1Br.
What is the InChIKey of 4-chloro-N-[1-(2,4-dibromophenyl)ethyl]-2-methoxy-5-methylaniline?
The InChIKey is IZAQYEMQGJFYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2ClNO/c1-9-6-15(16(21-3)8-14(9)19)20-10(2)12-5-4-11(17)7-13(12)18/h4-8,10,20H,1-3H3.
What are the key properties of 4-chloro-N-[1-(2,4-dibromophenyl)ethyl]-2-methoxy-5-methylaniline?
4-chloro-N-[1-(2,4-dibromophenyl)ethyl]-2-methoxy-5-methylaniline has a molecular weight of 433.57 g/mol, XLogP of 6.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(2,4-dibromophenyl)ethyl]-2-methoxy-5-methylaniline is sourced from PubChem (CID 60781299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).