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

C12H17BrClNO — CID 81263648

IUPAC2-bromo-4-chloro-N-(1-methoxy-3-methylbutan-2-yl)aniline
SMILESCOCC(Nc1ccc(Cl)cc1Br)C(C)C
InChIInChI=1S/C12H17BrClNO/c1-8(2)12(7-16-3)15-11-5-4-9(14)6-10(11)13/h4-6,8,12,15H,7H2,1-3H3
InChIKeyDWNQKLVFVSQATF-UHFFFAOYSA-N
MW306.63 g/mol
LogP4.19
Rot. Bonds5

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

2-bromo-4-chloro-N-(1-methoxy-3-methylbutan-2-yl)aniline (PubChem CID 81263648) has the molecular formula C12H17BrClNO and a molecular weight of 306.63 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-(1-methoxy-3-methylbutan-2-yl)aniline.

Molecular Properties

Compound Name2-bromo-4-chloro-N-(1-methoxy-3-methylbutan-2-yl)aniline
PubChem CID81263648
Molecular FormulaC12H17BrClNO
Molecular Weight306.63 g/mol
Exact Mass305.02
IUPAC Name2-bromo-4-chloro-N-(1-methoxy-3-methylbutan-2-yl)aniline
SMILESCOCC(Nc1ccc(Cl)cc1Br)C(C)C
InChIInChI=1S/C12H17BrClNO/c1-8(2)12(7-16-3)15-11-5-4-9(14)6-10(11)13/h4-6,8,12,15H,7H2,1-3H3
InChIKeyDWNQKLVFVSQATF-UHFFFAOYSA-N
XLogP4.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.63
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-bromo-4-chloro-N-(1-methoxy-3-methylbutan-2-yl)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

4-chloro-N-(1-methoxy-3-methylbutan-2-yl)-2-nitroaniline
CID 65048341
2-bromo-4-chloro-N-propan-2-ylaniline
CID 58692387
5-chloro-2-hydrazinyl-N-(1-methoxy-3-methylbutan-2-yl)benzamide
CID 65053143
6-chloro-N-(1-methoxy-3-methylbutan-2-yl)-1,3-benzothiazol-2-amine
CID 79525887
N-[1-(2,4-dichlorophenyl)ethyl]-1-methoxy-3-methylbutan-2-amine
CID 65047890
N-[(4-chloro-2-methylphenyl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 104854261
2-bromo-4-chloro-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 81263735
2-bromo-4-chloro-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]aniline
CID 83075597
N'-(2-bromo-4-chlorophenyl)-2-propan-2-ylpropane-1,3-diamine
CID 107442489
2-bromo-4-chloro-N-[1-(2-ethoxyphenyl)ethyl]aniline
CID 81262643
4-[2-(2-bromo-4-chloroanilino)propyl]phenol
CID 115494460
N-[(3-chlorophenyl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 65050293

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-(1-methoxy-3-methylbutan-2-yl)aniline?
The IUPAC name of 2-bromo-4-chloro-N-(1-methoxy-3-methylbutan-2-yl)aniline (CID 81263648) is 2-bromo-4-chloro-N-(1-methoxy-3-methylbutan-2-yl)aniline.
What is the SMILES notation for 2-bromo-4-chloro-N-(1-methoxy-3-methylbutan-2-yl)aniline?
The canonical SMILES for 2-bromo-4-chloro-N-(1-methoxy-3-methylbutan-2-yl)aniline is COCC(Nc1ccc(Cl)cc1Br)C(C)C.
What is the InChIKey of 2-bromo-4-chloro-N-(1-methoxy-3-methylbutan-2-yl)aniline?
The InChIKey is DWNQKLVFVSQATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrClNO/c1-8(2)12(7-16-3)15-11-5-4-9(14)6-10(11)13/h4-6,8,12,15H,7H2,1-3H3.
What are the key properties of 2-bromo-4-chloro-N-(1-methoxy-3-methylbutan-2-yl)aniline?
2-bromo-4-chloro-N-(1-methoxy-3-methylbutan-2-yl)aniline has a molecular weight of 306.63 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-N-(1-methoxy-3-methylbutan-2-yl)aniline is sourced from PubChem (CID 81263648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).