4-bromo-2,6-dichloro-N-(3-methyl-2-propan-2-ylbutyl)aniline

C14H20BrCl2N — CID 114281829

IUPAC4-bromo-2,6-dichloro-N-(3-methyl-2-propan-2-ylbutyl)aniline
SMILESCC(C)C(CNc1c(Cl)cc(Br)cc1Cl)C(C)C
InChIInChI=1S/C14H20BrCl2N/c1-8(2)11(9(3)4)7-18-14-12(16)5-10(15)6-13(14)17/h5-6,8-9,11,18H,7H2,1-4H3
InChIKeyAPTYSGUFWMZUNU-UHFFFAOYSA-N
MW353.13 g/mol
LogP6.10
Rot. Bonds5

About 4-bromo-2,6-dichloro-N-(3-methyl-2-propan-2-ylbutyl)aniline

4-bromo-2,6-dichloro-N-(3-methyl-2-propan-2-ylbutyl)aniline (PubChem CID 114281829) has the molecular formula C14H20BrCl2N and a molecular weight of 353.13 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-(3-methyl-2-propan-2-ylbutyl)aniline.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-(3-methyl-2-propan-2-ylbutyl)aniline
PubChem CID114281829
Molecular FormulaC14H20BrCl2N
Molecular Weight353.13 g/mol
Exact Mass351.02
IUPAC Name4-bromo-2,6-dichloro-N-(3-methyl-2-propan-2-ylbutyl)aniline
SMILESCC(C)C(CNc1c(Cl)cc(Br)cc1Cl)C(C)C
InChIInChI=1S/C14H20BrCl2N/c1-8(2)11(9(3)4)7-18-14-12(16)5-10(15)6-13(14)17/h5-6,8-9,11,18H,7H2,1-4H3
InChIKeyAPTYSGUFWMZUNU-UHFFFAOYSA-N
XLogP6.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.13
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-2,6-dichloro-N-(2-ethylbutyl)aniline
CID 28993156
4-bromo-2,6-dichloro-N-(2,2-dimethoxyethyl)aniline
CID 63686996
2-(4-bromo-2,6-dichloroanilino)-N-(3-methylbutan-2-yl)acetamide
CID 55195038
4-bromo-2,6-dichloro-N-[(4-propan-2-ylphenyl)methyl]aniline
CID 63425141
4-bromo-2,6-dichloro-N-[2-(2-methylpropoxy)ethyl]aniline
CID 106451560
4-bromo-2,6-dichloro-N-pentylaniline
CID 28992958
4-bromo-2,6-dichloro-N-methylaniline
CID 23345299
4-bromo-2,6-dichloro-N-(3-phenylbutyl)aniline
CID 63425134
4-(4-bromo-2,6-dichloroanilino)-2-methylbutan-2-ol
CID 79361423
4-bromo-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102914681
4-bromo-2,6-dichloro-N-(4-methylsulfanylbutyl)aniline
CID 103087339
6-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine
CID 102907365

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-(3-methyl-2-propan-2-ylbutyl)aniline?
The IUPAC name of 4-bromo-2,6-dichloro-N-(3-methyl-2-propan-2-ylbutyl)aniline (CID 114281829) is 4-bromo-2,6-dichloro-N-(3-methyl-2-propan-2-ylbutyl)aniline.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-(3-methyl-2-propan-2-ylbutyl)aniline?
The canonical SMILES for 4-bromo-2,6-dichloro-N-(3-methyl-2-propan-2-ylbutyl)aniline is CC(C)C(CNc1c(Cl)cc(Br)cc1Cl)C(C)C.
What is the InChIKey of 4-bromo-2,6-dichloro-N-(3-methyl-2-propan-2-ylbutyl)aniline?
The InChIKey is APTYSGUFWMZUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrCl2N/c1-8(2)11(9(3)4)7-18-14-12(16)5-10(15)6-13(14)17/h5-6,8-9,11,18H,7H2,1-4H3.
What are the key properties of 4-bromo-2,6-dichloro-N-(3-methyl-2-propan-2-ylbutyl)aniline?
4-bromo-2,6-dichloro-N-(3-methyl-2-propan-2-ylbutyl)aniline has a molecular weight of 353.13 g/mol, XLogP of 6.10, 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-(3-methyl-2-propan-2-ylbutyl)aniline is sourced from PubChem (CID 114281829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).