2,5-dibromo-N-[1-(4-ethylphenyl)ethyl]aniline

C16H17Br2N — CID 43736754

IUPAC2,5-dibromo-N-[1-(4-ethylphenyl)ethyl]aniline
SMILESCCc1ccc(C(C)Nc2cc(Br)ccc2Br)cc1
InChIInChI=1S/C16H17Br2N/c1-3-12-4-6-13(7-5-12)11(2)19-16-10-14(17)8-9-15(16)18/h4-11,19H,3H2,1-2H3
InChIKeyTZUHFBFYJVQHKZ-UHFFFAOYSA-N
MW383.13 g/mol
LogP5.95
Rot. Bonds4

About 2,5-dibromo-N-[1-(4-ethylphenyl)ethyl]aniline

2,5-dibromo-N-[1-(4-ethylphenyl)ethyl]aniline (PubChem CID 43736754) has the molecular formula C16H17Br2N and a molecular weight of 383.13 g/mol. Its IUPAC name is 2,5-dibromo-N-[1-(4-ethylphenyl)ethyl]aniline.

Molecular Properties

Compound Name2,5-dibromo-N-[1-(4-ethylphenyl)ethyl]aniline
PubChem CID43736754
Molecular FormulaC16H17Br2N
Molecular Weight383.13 g/mol
Exact Mass380.97
IUPAC Name2,5-dibromo-N-[1-(4-ethylphenyl)ethyl]aniline
SMILESCCc1ccc(C(C)Nc2cc(Br)ccc2Br)cc1
InChIInChI=1S/C16H17Br2N/c1-3-12-4-6-13(7-5-12)11(2)19-16-10-14(17)8-9-15(16)18/h4-11,19H,3H2,1-2H3
InChIKeyTZUHFBFYJVQHKZ-UHFFFAOYSA-N
XLogP5.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.13
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-dibromo-N-[1-(4-methoxyphenyl)ethyl]aniline
CID 43736803
5-[1-(2,5-dibromoanilino)ethyl]benzene-1,3-diol
CID 107705827
2,5-dibromo-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline
CID 43736715
2,5-dibromo-N-[1-(3,4-dichlorophenyl)ethyl]aniline
CID 43736741
2,5-dibromo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]aniline
CID 63446241
2,4-dibromo-N-[1-(4-bromophenyl)ethyl]aniline
CID 43683094
2-bromo-N-[1-(4-butylphenyl)ethyl]-5-chloroaniline
CID 81269540
3-bromo-5-chloro-N-[1-(4-ethylphenyl)ethyl]-2-methoxyaniline
CID 43689329
4-bromo-2-fluoro-N-[1-(4-propylphenyl)ethyl]aniline
CID 43096586
1-(4-bromophenyl)-N-[(4-ethylphenyl)methyl]ethanamine
CID 60658167
5-[1-(2,5-dibromoanilino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43736606
2,4-dichloro-N-[1-(4-ethylphenyl)ethyl]aniline
CID 43104033

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[1-(4-ethylphenyl)ethyl]aniline?
The IUPAC name of 2,5-dibromo-N-[1-(4-ethylphenyl)ethyl]aniline (CID 43736754) is 2,5-dibromo-N-[1-(4-ethylphenyl)ethyl]aniline.
What is the SMILES notation for 2,5-dibromo-N-[1-(4-ethylphenyl)ethyl]aniline?
The canonical SMILES for 2,5-dibromo-N-[1-(4-ethylphenyl)ethyl]aniline is CCc1ccc(C(C)Nc2cc(Br)ccc2Br)cc1.
What is the InChIKey of 2,5-dibromo-N-[1-(4-ethylphenyl)ethyl]aniline?
The InChIKey is TZUHFBFYJVQHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br2N/c1-3-12-4-6-13(7-5-12)11(2)19-16-10-14(17)8-9-15(16)18/h4-11,19H,3H2,1-2H3.
What are the key properties of 2,5-dibromo-N-[1-(4-ethylphenyl)ethyl]aniline?
2,5-dibromo-N-[1-(4-ethylphenyl)ethyl]aniline has a molecular weight of 383.13 g/mol, XLogP of 5.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[1-(4-ethylphenyl)ethyl]aniline is sourced from PubChem (CID 43736754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).