4-bromo-2-chloro-N-(2-ethylhexyl)aniline

C14H21BrClN — CID 63489227

IUPAC4-bromo-2-chloro-N-(2-ethylhexyl)aniline
SMILESCCCCC(CC)CNc1ccc(Br)cc1Cl
InChIInChI=1S/C14H21BrClN/c1-3-5-6-11(4-2)10-17-14-8-7-12(15)9-13(14)16/h7-9,11,17H,3-6,10H2,1-2H3
InChIKeyHPNVQZPFXSQMEI-UHFFFAOYSA-N
MW318.69 g/mol
LogP5.73
Rot. Bonds7

About 4-bromo-2-chloro-N-(2-ethylhexyl)aniline

4-bromo-2-chloro-N-(2-ethylhexyl)aniline (PubChem CID 63489227) has the molecular formula C14H21BrClN and a molecular weight of 318.69 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(2-ethylhexyl)aniline.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(2-ethylhexyl)aniline
PubChem CID63489227
Molecular FormulaC14H21BrClN
Molecular Weight318.69 g/mol
Exact Mass317.05
IUPAC Name4-bromo-2-chloro-N-(2-ethylhexyl)aniline
SMILESCCCCC(CC)CNc1ccc(Br)cc1Cl
InChIInChI=1S/C14H21BrClN/c1-3-5-6-11(4-2)10-17-14-8-7-12(15)9-13(14)16/h7-9,11,17H,3-6,10H2,1-2H3
InChIKeyHPNVQZPFXSQMEI-UHFFFAOYSA-N
XLogP5.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.69
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-1-N-(2-ethylhexyl)benzene-1,2-diamine
CID 107819769
4-bromo-2-N-(2-ethylhexyl)benzene-1,2-diamine
CID 114004564
4-chloro-N-(2-ethylhexyl)-2-fluoroaniline
CID 55197144
2-bromo-N-(2-ethylhexyl)-4-(trifluoromethyl)aniline
CID 107816448
2,4-dichloro-N-(2-ethylbutyl)aniline
CID 28521288
4-chloro-N-(2-ethylhexyl)-2,5-dimethoxyaniline
CID 63487753
3-bromo-N-(2-ethylhexyl)-2-methylaniline
CID 107633893
1-bromo-4-(2-ethylhexylamino)anthracene-9,10-dione
CID 89487467
5-amino-2-(2-ethylhexylamino)benzenesulfonamide
CID 107819806
4,5-dichloro-N-(2-ethylhexyl)-2-nitroaniline
CID 107816572
N-(2-ethylhexyl)-2,3-difluoroaniline
CID 63490651
1-N-(2-ethylhexyl)-4-methoxybenzene-1,2-diamine
CID 107819851

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(2-ethylhexyl)aniline?
The IUPAC name of 4-bromo-2-chloro-N-(2-ethylhexyl)aniline (CID 63489227) is 4-bromo-2-chloro-N-(2-ethylhexyl)aniline.
What is the SMILES notation for 4-bromo-2-chloro-N-(2-ethylhexyl)aniline?
The canonical SMILES for 4-bromo-2-chloro-N-(2-ethylhexyl)aniline is CCCCC(CC)CNc1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-(2-ethylhexyl)aniline?
The InChIKey is HPNVQZPFXSQMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrClN/c1-3-5-6-11(4-2)10-17-14-8-7-12(15)9-13(14)16/h7-9,11,17H,3-6,10H2,1-2H3.
What are the key properties of 4-bromo-2-chloro-N-(2-ethylhexyl)aniline?
4-bromo-2-chloro-N-(2-ethylhexyl)aniline has a molecular weight of 318.69 g/mol, XLogP of 5.73, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-(2-ethylhexyl)aniline is sourced from PubChem (CID 63489227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).