4-bromo-3-chloro-N-(1-methoxybutan-2-yl)aniline

C11H15BrClNO — CID 107619352

IUPAC4-bromo-3-chloro-N-(1-methoxybutan-2-yl)aniline
SMILESCCC(COC)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C11H15BrClNO/c1-3-8(7-15-2)14-9-4-5-10(12)11(13)6-9/h4-6,8,14H,3,7H2,1-2H3
InChIKeyDWOCEZRYPQZLLD-UHFFFAOYSA-N
MW292.60 g/mol
LogP3.94
Rot. Bonds5

About 4-bromo-3-chloro-N-(1-methoxybutan-2-yl)aniline

4-bromo-3-chloro-N-(1-methoxybutan-2-yl)aniline (PubChem CID 107619352) has the molecular formula C11H15BrClNO and a molecular weight of 292.60 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-(1-methoxybutan-2-yl)aniline.

Molecular Properties

Compound Name4-bromo-3-chloro-N-(1-methoxybutan-2-yl)aniline
PubChem CID107619352
Molecular FormulaC11H15BrClNO
Molecular Weight292.60 g/mol
Exact Mass291.00
IUPAC Name4-bromo-3-chloro-N-(1-methoxybutan-2-yl)aniline
SMILESCCC(COC)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C11H15BrClNO/c1-3-8(7-15-2)14-9-4-5-10(12)11(13)6-9/h4-6,8,14H,3,7H2,1-2H3
InChIKeyDWOCEZRYPQZLLD-UHFFFAOYSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.60
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(4-bromo-3-chlorophenyl)-4-methoxy-3-methylbutane-1,2-diamine
CID 107619605
4-bromo-3-chloro-N-(2-methoxyethyl)aniline
CID 107619929
2-methoxy-4-N-(1-methoxybutan-2-yl)benzene-1,4-diamine
CID 23316326
4-(1-methoxybutan-2-ylamino)benzene-1,2-dicarbonitrile
CID 107788180
2-N-(4-bromo-3-chlorophenyl)heptane-1,2-diamine
CID 107619613
4-bromo-3-chloro-N-[1-(2,4-dichlorophenyl)propyl]aniline
CID 107618733
4-bromo-N-(1-methoxybutan-2-yl)naphthalen-1-amine
CID 113384472
2-fluoro-4-(1-methoxybutan-2-ylamino)benzenecarbothioamide
CID 113295920
2-(4-bromo-3-chloroanilino)-N-ethylpropanamide
CID 107620078
4-bromo-3-chloro-N-[1-(2-methoxyphenyl)ethyl]aniline
CID 107618729
[1-(4-bromo-3-chlorophenyl)-2-methoxyethyl]hydrazine
CID 105321658
3-iodo-N-(1-methoxybutan-2-yl)-4-nitroaniline
CID 106493264

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-(1-methoxybutan-2-yl)aniline?
The IUPAC name of 4-bromo-3-chloro-N-(1-methoxybutan-2-yl)aniline (CID 107619352) is 4-bromo-3-chloro-N-(1-methoxybutan-2-yl)aniline.
What is the SMILES notation for 4-bromo-3-chloro-N-(1-methoxybutan-2-yl)aniline?
The canonical SMILES for 4-bromo-3-chloro-N-(1-methoxybutan-2-yl)aniline is CCC(COC)Nc1ccc(Br)c(Cl)c1.
What is the InChIKey of 4-bromo-3-chloro-N-(1-methoxybutan-2-yl)aniline?
The InChIKey is DWOCEZRYPQZLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClNO/c1-3-8(7-15-2)14-9-4-5-10(12)11(13)6-9/h4-6,8,14H,3,7H2,1-2H3.
What are the key properties of 4-bromo-3-chloro-N-(1-methoxybutan-2-yl)aniline?
4-bromo-3-chloro-N-(1-methoxybutan-2-yl)aniline has a molecular weight of 292.60 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-(1-methoxybutan-2-yl)aniline is sourced from PubChem (CID 107619352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).