4-bromo-2,6-dichloro-N-(4-propylcyclohexyl)aniline

C15H20BrCl2N — CID 63425626

IUPAC4-bromo-2,6-dichloro-N-(4-propylcyclohexyl)aniline
SMILESCCCC1CCC(Nc2c(Cl)cc(Br)cc2Cl)CC1
InChIInChI=1S/C15H20BrCl2N/c1-2-3-10-4-6-12(7-5-10)19-15-13(17)8-11(16)9-14(15)18/h8-10,12,19H,2-7H2,1H3
InChIKeyFQVOCDZMXSLECV-UHFFFAOYSA-N
MW365.14 g/mol
LogP6.53
Rot. Bonds4

About 4-bromo-2,6-dichloro-N-(4-propylcyclohexyl)aniline

4-bromo-2,6-dichloro-N-(4-propylcyclohexyl)aniline (PubChem CID 63425626) has the molecular formula C15H20BrCl2N and a molecular weight of 365.14 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-(4-propylcyclohexyl)aniline.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-(4-propylcyclohexyl)aniline
PubChem CID63425626
Molecular FormulaC15H20BrCl2N
Molecular Weight365.14 g/mol
Exact Mass363.02
IUPAC Name4-bromo-2,6-dichloro-N-(4-propylcyclohexyl)aniline
SMILESCCCC1CCC(Nc2c(Cl)cc(Br)cc2Cl)CC1
InChIInChI=1S/C15H20BrCl2N/c1-2-3-10-4-6-12(7-5-10)19-15-13(17)8-11(16)9-14(15)18/h8-10,12,19H,2-7H2,1H3
InChIKeyFQVOCDZMXSLECV-UHFFFAOYSA-N
XLogP6.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.14
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-2,6-dichloro-N-cyclopropylaniline
CID 103438876
N-(4-bromo-2,6-dichlorophenyl)-1-ethylpiperidin-4-amine
CID 28993181
N-(4-bromo-2,6-dichlorophenyl)thian-4-amine
CID 43511379
N-(4-bromo-2,6-dichlorophenyl)-1-methylpyrrolidin-3-amine
CID 62976883
4-chloro-N-(4-propylcyclohexyl)-3-(trifluoromethyl)aniline
CID 63423523
5-bromo-N-(4-propylcyclohexyl)pyrimidin-2-amine
CID 63874176
3-chloro-5-fluoro-N-(4-propylcyclohexyl)aniline
CID 107364276
N-(2-chloro-4-fluorophenyl)-4-propylcycloheptan-1-amine
CID 65086683
2-chloro-4-methyl-N-(4-propylcycloheptyl)pyridin-3-amine
CID 65485314
1-[4-(4-bromo-2,6-dichloroanilino)piperidin-1-yl]ethanone
CID 43773718
5-bromo-2-methoxy-N-(4-propylcyclohexyl)aniline
CID 63455703
5-bromo-2-N-(4-propylcyclohexyl)pyridine-2,3-diamine
CID 55185791

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-(4-propylcyclohexyl)aniline?
The IUPAC name of 4-bromo-2,6-dichloro-N-(4-propylcyclohexyl)aniline (CID 63425626) is 4-bromo-2,6-dichloro-N-(4-propylcyclohexyl)aniline.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-(4-propylcyclohexyl)aniline?
The canonical SMILES for 4-bromo-2,6-dichloro-N-(4-propylcyclohexyl)aniline is CCCC1CCC(Nc2c(Cl)cc(Br)cc2Cl)CC1.
What is the InChIKey of 4-bromo-2,6-dichloro-N-(4-propylcyclohexyl)aniline?
The InChIKey is FQVOCDZMXSLECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrCl2N/c1-2-3-10-4-6-12(7-5-10)19-15-13(17)8-11(16)9-14(15)18/h8-10,12,19H,2-7H2,1H3.
What are the key properties of 4-bromo-2,6-dichloro-N-(4-propylcyclohexyl)aniline?
4-bromo-2,6-dichloro-N-(4-propylcyclohexyl)aniline has a molecular weight of 365.14 g/mol, XLogP of 6.53, 4 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-propylcyclohexyl)aniline is sourced from PubChem (CID 63425626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).