2,4-dichloro-N-(4-methylpentyl)aniline

C12H17Cl2N — CID 83155981

IUPAC2,4-dichloro-N-(4-methylpentyl)aniline
SMILESCC(C)CCCNc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2N/c1-9(2)4-3-7-15-12-6-5-10(13)8-11(12)14/h5-6,8-9,15H,3-4,7H2,1-2H3
InChIKeyMQBRQJJEBGROLD-UHFFFAOYSA-N
MW246.18 g/mol
LogP4.84
Rot. Bonds5

About 2,4-dichloro-N-(4-methylpentyl)aniline

2,4-dichloro-N-(4-methylpentyl)aniline (PubChem CID 83155981) has the molecular formula C12H17Cl2N and a molecular weight of 246.18 g/mol. Its IUPAC name is 2,4-dichloro-N-(4-methylpentyl)aniline.

Molecular Properties

Compound Name2,4-dichloro-N-(4-methylpentyl)aniline
PubChem CID83155981
Molecular FormulaC12H17Cl2N
Molecular Weight246.18 g/mol
Exact Mass245.07
IUPAC Name2,4-dichloro-N-(4-methylpentyl)aniline
SMILESCC(C)CCCNc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2N/c1-9(2)4-3-7-15-12-6-5-10(13)8-11(12)14/h5-6,8-9,15H,3-4,7H2,1-2H3
InChIKeyMQBRQJJEBGROLD-UHFFFAOYSA-N
XLogP4.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.18
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dichlorophenyl)-N'-propan-2-ylethane-1,2-diamine
CID 54806248
2,4-dichloro-N-decylaniline
CID 63489638
N-(5-bromopentyl)-2,4-dichloroaniline
CID 10804944
N-(2,4-dichlorophenyl)-N',N'-diethylpropane-1,3-diamine
CID 57223058
3-chloro-N-(4-methylpentyl)pyridin-4-amine
CID 79839670
3-chloro-2-methyl-N-(4-methylpentyl)aniline
CID 83155980
4-chloro-2-(5-methylhexylamino)benzoic acid
CID 113287884
5-chloro-N-(5-methylhexyl)-2-nitroaniline
CID 113316036
5-bromo-2-fluoro-N-(4-methylpentyl)aniline
CID 83157091
N-[(2,5-dichlorophenyl)methyl]-4-methylpentan-1-amine
CID 65316170
2,4-dichloro-N-(4-methylpentyl)benzamide
CID 3288141
5-(2-amino-4-chloroanilino)-2-methylpentan-1-ol
CID 106154375

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(4-methylpentyl)aniline?
The IUPAC name of 2,4-dichloro-N-(4-methylpentyl)aniline (CID 83155981) is 2,4-dichloro-N-(4-methylpentyl)aniline.
What is the SMILES notation for 2,4-dichloro-N-(4-methylpentyl)aniline?
The canonical SMILES for 2,4-dichloro-N-(4-methylpentyl)aniline is CC(C)CCCNc1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(4-methylpentyl)aniline?
The InChIKey is MQBRQJJEBGROLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N/c1-9(2)4-3-7-15-12-6-5-10(13)8-11(12)14/h5-6,8-9,15H,3-4,7H2,1-2H3.
What are the key properties of 2,4-dichloro-N-(4-methylpentyl)aniline?
2,4-dichloro-N-(4-methylpentyl)aniline has a molecular weight of 246.18 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(4-methylpentyl)aniline is sourced from PubChem (CID 83155981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).