4-bromo-N-[1-(4-methoxyphenyl)ethyl]-2-methylaniline

C16H18BrNO — CID 43192054

IUPAC4-bromo-N-[1-(4-methoxyphenyl)ethyl]-2-methylaniline
SMILESCOc1ccc(C(C)Nc2ccc(Br)cc2C)cc1
InChIInChI=1S/C16H18BrNO/c1-11-10-14(17)6-9-16(11)18-12(2)13-4-7-15(19-3)8-5-13/h4-10,12,18H,1-3H3
InChIKeyCZGHRFIDQVXUSL-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.94
Rot. Bonds4

About 4-bromo-N-[1-(4-methoxyphenyl)ethyl]-2-methylaniline

4-bromo-N-[1-(4-methoxyphenyl)ethyl]-2-methylaniline (PubChem CID 43192054) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is 4-bromo-N-[1-(4-methoxyphenyl)ethyl]-2-methylaniline.

Molecular Properties

Compound Name4-bromo-N-[1-(4-methoxyphenyl)ethyl]-2-methylaniline
PubChem CID43192054
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name4-bromo-N-[1-(4-methoxyphenyl)ethyl]-2-methylaniline
SMILESCOc1ccc(C(C)Nc2ccc(Br)cc2C)cc1
InChIInChI=1S/C16H18BrNO/c1-11-10-14(17)6-9-16(11)18-12(2)13-4-7-15(19-3)8-5-13/h4-10,12,18H,1-3H3
InChIKeyCZGHRFIDQVXUSL-UHFFFAOYSA-N
XLogP4.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-fluoro-N-[1-(4-methoxyphenyl)ethyl]aniline
CID 43192619
2,5-dibromo-N-[1-(4-methoxyphenyl)ethyl]aniline
CID 43736803
4-bromo-N-[1-(4-methoxyphenyl)propan-2-yl]-2-methylaniline
CID 43508695
N-[1-(4-bromophenyl)ethyl]-2,4-dimethylaniline
CID 43105030
4-methoxy-2-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]aniline
CID 62868006
N-[1-(4-bromophenyl)ethyl]-2-chloro-5-methoxyaniline
CID 55193327
2-(4-bromo-2-methylanilino)-1-(4-methoxyphenyl)ethanol
CID 60896340
3-bromo-N-[1-(4-methoxyphenyl)ethyl]-5-methylaniline
CID 107582000
3-[1-(4-methoxyphenyl)ethylamino]-2,6-dimethylphenol
CID 43741848
3-N-[1-(4-methoxyphenyl)ethyl]-4-methylbenzene-1,3-diamine
CID 66195446
1-N-[1-(4-methoxyphenyl)ethyl]-4-methylbenzene-1,2-diamine
CID 66197182
N-[1-(4-bromophenyl)propyl]-4-methoxy-2-methylaniline
CID 63476866

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(4-methoxyphenyl)ethyl]-2-methylaniline?
The IUPAC name of 4-bromo-N-[1-(4-methoxyphenyl)ethyl]-2-methylaniline (CID 43192054) is 4-bromo-N-[1-(4-methoxyphenyl)ethyl]-2-methylaniline.
What is the SMILES notation for 4-bromo-N-[1-(4-methoxyphenyl)ethyl]-2-methylaniline?
The canonical SMILES for 4-bromo-N-[1-(4-methoxyphenyl)ethyl]-2-methylaniline is COc1ccc(C(C)Nc2ccc(Br)cc2C)cc1.
What is the InChIKey of 4-bromo-N-[1-(4-methoxyphenyl)ethyl]-2-methylaniline?
The InChIKey is CZGHRFIDQVXUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-11-10-14(17)6-9-16(11)18-12(2)13-4-7-15(19-3)8-5-13/h4-10,12,18H,1-3H3.
What are the key properties of 4-bromo-N-[1-(4-methoxyphenyl)ethyl]-2-methylaniline?
4-bromo-N-[1-(4-methoxyphenyl)ethyl]-2-methylaniline has a molecular weight of 320.23 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(4-methoxyphenyl)ethyl]-2-methylaniline is sourced from PubChem (CID 43192054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).