2,5-dichloro-4-methyl-N-(3-methylpentan-2-yl)aniline

C13H19Cl2N — CID 104726239

IUPAC2,5-dichloro-4-methyl-N-(3-methylpentan-2-yl)aniline
SMILESCCC(C)C(C)Nc1cc(Cl)c(C)cc1Cl
InChIInChI=1S/C13H19Cl2N/c1-5-8(2)10(4)16-13-7-11(14)9(3)6-12(13)15/h6-8,10,16H,5H2,1-4H3
InChIKeyXEWGOIAHDQBHLG-UHFFFAOYSA-N
MW260.21 g/mol
LogP5.15
Rot. Bonds4

About 2,5-dichloro-4-methyl-N-(3-methylpentan-2-yl)aniline

2,5-dichloro-4-methyl-N-(3-methylpentan-2-yl)aniline (PubChem CID 104726239) has the molecular formula C13H19Cl2N and a molecular weight of 260.21 g/mol. Its IUPAC name is 2,5-dichloro-4-methyl-N-(3-methylpentan-2-yl)aniline.

Molecular Properties

Compound Name2,5-dichloro-4-methyl-N-(3-methylpentan-2-yl)aniline
PubChem CID104726239
Molecular FormulaC13H19Cl2N
Molecular Weight260.21 g/mol
Exact Mass259.09
IUPAC Name2,5-dichloro-4-methyl-N-(3-methylpentan-2-yl)aniline
SMILESCCC(C)C(C)Nc1cc(Cl)c(C)cc1Cl
InChIInChI=1S/C13H19Cl2N/c1-5-8(2)10(4)16-13-7-11(14)9(3)6-12(13)15/h6-8,10,16H,5H2,1-4H3
InChIKeyXEWGOIAHDQBHLG-UHFFFAOYSA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.21
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-dichloro-N-(1-methoxypropan-2-yl)-4-methylaniline
CID 104726031
2-chloro-4-iodo-N-(3-methylpentan-2-yl)aniline
CID 43733550
1-(2,5-dichloro-4-methylanilino)butan-2-ol
CID 104726754
2-bromo-N-butan-2-yl-5-chloro-4-methylaniline
CID 104722467
2,5-dichloro-4-methyl-N-nonan-2-ylaniline
CID 104726304
[4-chloro-3-(3-methylpentan-2-ylamino)phenyl]methanol
CID 115929963
2,5-dichloro-N-[1-(4-ethoxyphenyl)ethyl]-4-methylaniline
CID 104726016
2-(2,5-dichloro-4-methylanilino)propanenitrile
CID 104726846
N-[1-(4-bromophenyl)propyl]-2,5-dichloro-4-methylaniline
CID 104726445
2,5-dichloro-4-methyl-N-(1-phenylbutan-2-yl)aniline
CID 104726531
2,5-dimethyl-4-(3-methylpentan-2-ylamino)phenol
CID 106954007
3-(2,5-dichloro-4-methylanilino)butanoic acid
CID 104726951

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-methyl-N-(3-methylpentan-2-yl)aniline?
The IUPAC name of 2,5-dichloro-4-methyl-N-(3-methylpentan-2-yl)aniline (CID 104726239) is 2,5-dichloro-4-methyl-N-(3-methylpentan-2-yl)aniline.
What is the SMILES notation for 2,5-dichloro-4-methyl-N-(3-methylpentan-2-yl)aniline?
The canonical SMILES for 2,5-dichloro-4-methyl-N-(3-methylpentan-2-yl)aniline is CCC(C)C(C)Nc1cc(Cl)c(C)cc1Cl.
What is the InChIKey of 2,5-dichloro-4-methyl-N-(3-methylpentan-2-yl)aniline?
The InChIKey is XEWGOIAHDQBHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N/c1-5-8(2)10(4)16-13-7-11(14)9(3)6-12(13)15/h6-8,10,16H,5H2,1-4H3.
What are the key properties of 2,5-dichloro-4-methyl-N-(3-methylpentan-2-yl)aniline?
2,5-dichloro-4-methyl-N-(3-methylpentan-2-yl)aniline has a molecular weight of 260.21 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-methyl-N-(3-methylpentan-2-yl)aniline is sourced from PubChem (CID 104726239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).