4-bromo-2,6-dichloro-N-[4-(3-methylphenyl)butan-2-yl]aniline

C17H18BrCl2N — CID 63425619

IUPAC4-bromo-2,6-dichloro-N-[4-(3-methylphenyl)butan-2-yl]aniline
SMILESCc1cccc(CCC(C)Nc2c(Cl)cc(Br)cc2Cl)c1
InChIInChI=1S/C17H18BrCl2N/c1-11-4-3-5-13(8-11)7-6-12(2)21-17-15(19)9-14(18)10-16(17)20/h3-5,8-10,12,21H,6-7H2,1-2H3
InChIKeyOEBAZVLVOSHIFE-UHFFFAOYSA-N
MW387.15 g/mol
LogP6.50
Rot. Bonds5

About 4-bromo-2,6-dichloro-N-[4-(3-methylphenyl)butan-2-yl]aniline

4-bromo-2,6-dichloro-N-[4-(3-methylphenyl)butan-2-yl]aniline (PubChem CID 63425619) has the molecular formula C17H18BrCl2N and a molecular weight of 387.15 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-[4-(3-methylphenyl)butan-2-yl]aniline.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-[4-(3-methylphenyl)butan-2-yl]aniline
PubChem CID63425619
Molecular FormulaC17H18BrCl2N
Molecular Weight387.15 g/mol
Exact Mass385.00
IUPAC Name4-bromo-2,6-dichloro-N-[4-(3-methylphenyl)butan-2-yl]aniline
SMILESCc1cccc(CCC(C)Nc2c(Cl)cc(Br)cc2Cl)c1
InChIInChI=1S/C17H18BrCl2N/c1-11-4-3-5-13(8-11)7-6-12(2)21-17-15(19)9-14(18)10-16(17)20/h3-5,8-10,12,21H,6-7H2,1-2H3
InChIKeyOEBAZVLVOSHIFE-UHFFFAOYSA-N
XLogP6.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.15
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-2,6-difluoro-N-[4-(3-methylphenyl)butan-2-yl]aniline
CID 65467957
2-chloro-4,6-difluoro-N-[4-(3-methylphenyl)butan-2-yl]aniline
CID 83073633
2-chloro-4-[4-(3-methylphenyl)butan-2-ylamino]phenol
CID 107678447
4-bromo-2-[4-(3-methylphenyl)butan-2-ylamino]benzonitrile
CID 107797503
4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 63477631
2,6-dibromo-4-methyl-N-(4-phenylbutan-2-yl)aniline
CID 63425771
2-iodo-N-[4-(3-methylphenyl)butan-2-yl]aniline
CID 63421833
N-benzyl-4-(3-methylphenyl)butan-2-amine
CID 61170329
(2R)-2-[4-(3-methylphenyl)butan-2-ylamino]propan-1-ol
CID 114987003
5-methyl-N-[4-(3-methylphenyl)butan-2-yl]-1,3,4-thiadiazol-2-amine
CID 107648361
2,3,4-trifluoro-N-[4-(3-methylphenyl)butan-2-yl]aniline
CID 63419545
2-methoxy-4-methyl-N-[4-(3-methylphenyl)butan-2-yl]aniline
CID 63450923

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-[4-(3-methylphenyl)butan-2-yl]aniline?
The IUPAC name of 4-bromo-2,6-dichloro-N-[4-(3-methylphenyl)butan-2-yl]aniline (CID 63425619) is 4-bromo-2,6-dichloro-N-[4-(3-methylphenyl)butan-2-yl]aniline.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-[4-(3-methylphenyl)butan-2-yl]aniline?
The canonical SMILES for 4-bromo-2,6-dichloro-N-[4-(3-methylphenyl)butan-2-yl]aniline is Cc1cccc(CCC(C)Nc2c(Cl)cc(Br)cc2Cl)c1.
What is the InChIKey of 4-bromo-2,6-dichloro-N-[4-(3-methylphenyl)butan-2-yl]aniline?
The InChIKey is OEBAZVLVOSHIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrCl2N/c1-11-4-3-5-13(8-11)7-6-12(2)21-17-15(19)9-14(18)10-16(17)20/h3-5,8-10,12,21H,6-7H2,1-2H3.
What are the key properties of 4-bromo-2,6-dichloro-N-[4-(3-methylphenyl)butan-2-yl]aniline?
4-bromo-2,6-dichloro-N-[4-(3-methylphenyl)butan-2-yl]aniline has a molecular weight of 387.15 g/mol, XLogP of 6.50, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-[4-(3-methylphenyl)butan-2-yl]aniline is sourced from PubChem (CID 63425619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).