2,6-dibromo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]aniline

C18H21Br2N — CID 107597117

IUPAC2,6-dibromo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]aniline
SMILESCC(C)Cc1ccc(C(C)Nc2c(Br)cccc2Br)cc1
InChIInChI=1S/C18H21Br2N/c1-12(2)11-14-7-9-15(10-8-14)13(3)21-18-16(19)5-4-6-17(18)20/h4-10,12-13,21H,11H2,1-3H3
InChIKeyGERKDUJUAXISLW-UHFFFAOYSA-N
MW411.18 g/mol
LogP6.58
Rot. Bonds5

About 2,6-dibromo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]aniline

2,6-dibromo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]aniline (PubChem CID 107597117) has the molecular formula C18H21Br2N and a molecular weight of 411.18 g/mol. Its IUPAC name is 2,6-dibromo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]aniline.

Molecular Properties

Compound Name2,6-dibromo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]aniline
PubChem CID107597117
Molecular FormulaC18H21Br2N
Molecular Weight411.18 g/mol
Exact Mass409.00
IUPAC Name2,6-dibromo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]aniline
SMILESCC(C)Cc1ccc(C(C)Nc2c(Br)cccc2Br)cc1
InChIInChI=1S/C18H21Br2N/c1-12(2)11-14-7-9-15(10-8-14)13(3)21-18-16(19)5-4-6-17(18)20/h4-10,12-13,21H,11H2,1-3H3
InChIKeyGERKDUJUAXISLW-UHFFFAOYSA-N
XLogP6.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.18
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-bromophenyl)methyl]-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 43221361
2,6-dibromo-N-[1-(4-ethoxyphenyl)ethyl]aniline
CID 107597432
2-iodo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]aniline
CID 43124751
3,5-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]aniline
CID 43100358
2-bromo-6-fluoro-N-[1-(4-propan-2-ylphenyl)ethyl]aniline
CID 107597769
3-[1-(2,6-dibromoanilino)ethyl]phenol
CID 107597330
1-bromo-2-[chloro-[4-(2-methylpropyl)phenyl]methyl]benzene
CID 63430575
2,6-dibromo-N-[(4-propan-2-ylphenyl)methyl]aniline
CID 107597110
2-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butan-2-amine
CID 45253324
1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene
CID 11044622
1-bromo-2-[4-(2-methylpropyl)phenyl]benzene
CID 145150198
N-[bis[4-(2-methylpropyl)phenyl]methyl]-2-methylpropan-2-amine;2,2-dimethylpropane;methane
CID 158178381

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]aniline?
The IUPAC name of 2,6-dibromo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]aniline (CID 107597117) is 2,6-dibromo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]aniline.
What is the SMILES notation for 2,6-dibromo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]aniline?
The canonical SMILES for 2,6-dibromo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]aniline is CC(C)Cc1ccc(C(C)Nc2c(Br)cccc2Br)cc1.
What is the InChIKey of 2,6-dibromo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]aniline?
The InChIKey is GERKDUJUAXISLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Br2N/c1-12(2)11-14-7-9-15(10-8-14)13(3)21-18-16(19)5-4-6-17(18)20/h4-10,12-13,21H,11H2,1-3H3.
What are the key properties of 2,6-dibromo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]aniline?
2,6-dibromo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]aniline has a molecular weight of 411.18 g/mol, XLogP of 6.58, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]aniline is sourced from PubChem (CID 107597117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).