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

C17H19Br2NO — CID 43736715

IUPAC2,5-dibromo-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline
SMILESCC(C)Oc1ccc(C(C)Nc2cc(Br)ccc2Br)cc1
InChIInChI=1S/C17H19Br2NO/c1-11(2)21-15-7-4-13(5-8-15)12(3)20-17-10-14(18)6-9-16(17)19/h4-12,20H,1-3H3
InChIKeyFUDIZTLYXVQYGK-UHFFFAOYSA-N
MW413.15 g/mol
LogP6.17
Rot. Bonds5

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

2,5-dibromo-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline (PubChem CID 43736715) has the molecular formula C17H19Br2NO and a molecular weight of 413.15 g/mol. Its IUPAC name is 2,5-dibromo-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline.

Molecular Properties

Compound Name2,5-dibromo-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline
PubChem CID43736715
Molecular FormulaC17H19Br2NO
Molecular Weight413.15 g/mol
Exact Mass410.98
IUPAC Name2,5-dibromo-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline
SMILESCC(C)Oc1ccc(C(C)Nc2cc(Br)ccc2Br)cc1
InChIInChI=1S/C17H19Br2NO/c1-11(2)21-15-7-4-13(5-8-15)12(3)20-17-10-14(18)6-9-16(17)19/h4-12,20H,1-3H3
InChIKeyFUDIZTLYXVQYGK-UHFFFAOYSA-N
XLogP6.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.15
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,5-dibromo-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-5-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline
CID 82745570
2,5-dibromo-N-[1-(4-methoxyphenyl)ethyl]aniline
CID 43736803
5-bromo-2-fluoro-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline
CID 43555336
2,5-dibromo-N-[1-(4-ethylphenyl)ethyl]aniline
CID 43736754
5-[1-(2,5-dibromoanilino)ethyl]benzene-1,3-diol
CID 107705827
2-bromo-5-chloro-N-[1-[4-(difluoromethoxy)phenyl]ethyl]aniline
CID 81269412
2,5-dibromo-N-[1-(3,4-dichlorophenyl)ethyl]aniline
CID 43736741
2,4-dibromo-N-[1-(4-bromophenyl)ethyl]aniline
CID 43683094
2,5-dibromo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]aniline
CID 63446241
4-bromo-N-[1-(4-methoxyphenyl)ethyl]-2-methylaniline
CID 43192054
4-iodo-2-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline
CID 43717037
5-fluoro-2-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline
CID 43097181

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline?
The IUPAC name of 2,5-dibromo-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline (CID 43736715) is 2,5-dibromo-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline.
What is the SMILES notation for 2,5-dibromo-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline?
The canonical SMILES for 2,5-dibromo-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline is CC(C)Oc1ccc(C(C)Nc2cc(Br)ccc2Br)cc1.
What is the InChIKey of 2,5-dibromo-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline?
The InChIKey is FUDIZTLYXVQYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Br2NO/c1-11(2)21-15-7-4-13(5-8-15)12(3)20-17-10-14(18)6-9-16(17)19/h4-12,20H,1-3H3.
What are the key properties of 2,5-dibromo-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline?
2,5-dibromo-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline has a molecular weight of 413.15 g/mol, XLogP of 6.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline is sourced from PubChem (CID 43736715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).