2,5-dichloro-4-methyl-N-nonan-2-ylaniline

C16H25Cl2N — CID 104726304

IUPAC2,5-dichloro-4-methyl-N-nonan-2-ylaniline
SMILESCCCCCCCC(C)Nc1cc(Cl)c(C)cc1Cl
InChIInChI=1S/C16H25Cl2N/c1-4-5-6-7-8-9-13(3)19-16-11-14(17)12(2)10-15(16)18/h10-11,13,19H,4-9H2,1-3H3
InChIKeyMDJBJEQPVCKOCG-UHFFFAOYSA-N
MW302.29 g/mol
LogP6.46
Rot. Bonds8

About 2,5-dichloro-4-methyl-N-nonan-2-ylaniline

2,5-dichloro-4-methyl-N-nonan-2-ylaniline (PubChem CID 104726304) has the molecular formula C16H25Cl2N and a molecular weight of 302.29 g/mol. Its IUPAC name is 2,5-dichloro-4-methyl-N-nonan-2-ylaniline.

Molecular Properties

Compound Name2,5-dichloro-4-methyl-N-nonan-2-ylaniline
PubChem CID104726304
Molecular FormulaC16H25Cl2N
Molecular Weight302.29 g/mol
Exact Mass301.14
IUPAC Name2,5-dichloro-4-methyl-N-nonan-2-ylaniline
SMILESCCCCCCCC(C)Nc1cc(Cl)c(C)cc1Cl
InChIInChI=1S/C16H25Cl2N/c1-4-5-6-7-8-9-13(3)19-16-11-14(17)12(2)10-15(16)18/h10-11,13,19H,4-9H2,1-3H3
InChIKeyMDJBJEQPVCKOCG-UHFFFAOYSA-N
XLogP6.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.29
LogP ≤ 56.46
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

2,4-dichloro-N-nonan-2-ylaniline
CID 55199008
2-chloro-4-N-hexan-2-yl-5-methylbenzene-1,4-diamine
CID 115554851
2,5-dichloro-4-methyl-N-octylaniline
CID 113445759
4-chloro-2,5-dimethyl-N-octan-2-ylbenzenesulfonamide
CID 19684239
2,5-dichloro-N-(1-methoxypropan-2-yl)-4-methylaniline
CID 104726031
5-chloro-2-fluoro-N-nonan-2-ylaniline
CID 43381901
2-chloro-5-methylsulfonyl-N-nonan-2-ylaniline
CID 43682127
6-chloro-5-(nonan-2-ylamino)-1,3-dihydroindol-2-one
CID 43691740
2-chloro-5-nitro-N-octan-2-ylaniline
CID 43718899
3,5-dichloro-N-nonan-2-ylaniline
CID 55199203
2,5-dichloro-4-methyl-N-(3-methylpentan-2-yl)aniline
CID 104726239
2,3-dimethyl-N-nonan-2-ylaniline
CID 43129897

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-methyl-N-nonan-2-ylaniline?
The IUPAC name of 2,5-dichloro-4-methyl-N-nonan-2-ylaniline (CID 104726304) is 2,5-dichloro-4-methyl-N-nonan-2-ylaniline.
What is the SMILES notation for 2,5-dichloro-4-methyl-N-nonan-2-ylaniline?
The canonical SMILES for 2,5-dichloro-4-methyl-N-nonan-2-ylaniline is CCCCCCCC(C)Nc1cc(Cl)c(C)cc1Cl.
What is the InChIKey of 2,5-dichloro-4-methyl-N-nonan-2-ylaniline?
The InChIKey is MDJBJEQPVCKOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25Cl2N/c1-4-5-6-7-8-9-13(3)19-16-11-14(17)12(2)10-15(16)18/h10-11,13,19H,4-9H2,1-3H3.
What are the key properties of 2,5-dichloro-4-methyl-N-nonan-2-ylaniline?
2,5-dichloro-4-methyl-N-nonan-2-ylaniline has a molecular weight of 302.29 g/mol, XLogP of 6.46, 8 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-nonan-2-ylaniline is sourced from PubChem (CID 104726304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).