2,4-dichloro-N-decylaniline

C16H25Cl2N — CID 63489638

IUPAC2,4-dichloro-N-decylaniline
SMILESCCCCCCCCCCNc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H25Cl2N/c1-2-3-4-5-6-7-8-9-12-19-16-11-10-14(17)13-15(16)18/h10-11,13,19H,2-9,12H2,1H3
InChIKeyZVMNUXDFKTYGFI-UHFFFAOYSA-N
MW302.29 g/mol
LogP6.55
Rot. Bonds10

About 2,4-dichloro-N-decylaniline

2,4-dichloro-N-decylaniline (PubChem CID 63489638) has the molecular formula C16H25Cl2N and a molecular weight of 302.29 g/mol. Its IUPAC name is 2,4-dichloro-N-decylaniline.

Molecular Properties

Compound Name2,4-dichloro-N-decylaniline
PubChem CID63489638
Molecular FormulaC16H25Cl2N
Molecular Weight302.29 g/mol
Exact Mass301.14
IUPAC Name2,4-dichloro-N-decylaniline
SMILESCCCCCCCCCCNc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H25Cl2N/c1-2-3-4-5-6-7-8-9-12-19-16-11-10-14(17)13-15(16)18/h10-11,13,19H,2-9,12H2,1H3
InChIKeyZVMNUXDFKTYGFI-UHFFFAOYSA-N
XLogP6.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.29
LogP ≤ 56.55
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

4-chloro-2-fluoro-N-heptylaniline
CID 43716552
2-chloro-N-decyl-4-methylaniline
CID 63489010
4-chloro-N-decyl-2-iodoaniline
CID 107635321
2-chloro-4-iodo-N-octylaniline
CID 63445374
2-bromo-4-chloro-N-octylaniline
CID 81263323
2-bromo-4-chloro-N-decylaniline
CID 81271334
N-(5-bromopentyl)-2,4-dichloroaniline
CID 10804944
N-(2,4-dichlorophenyl)-N',N'-diethylpropane-1,3-diamine
CID 57223058
2,4-dichloro-N-(4-methylpentyl)aniline
CID 83155981
1-(2,4-dichlorophenyl)-3-octylthiourea
CID 17262672
1-N-butyl-2-chlorobenzene-1,4-diamine
CID 20565180
4-chloro-2-(decylamino)benzonitrile
CID 64919418

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-decylaniline?
The IUPAC name of 2,4-dichloro-N-decylaniline (CID 63489638) is 2,4-dichloro-N-decylaniline.
What is the SMILES notation for 2,4-dichloro-N-decylaniline?
The canonical SMILES for 2,4-dichloro-N-decylaniline is CCCCCCCCCCNc1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-decylaniline?
The InChIKey is ZVMNUXDFKTYGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25Cl2N/c1-2-3-4-5-6-7-8-9-12-19-16-11-10-14(17)13-15(16)18/h10-11,13,19H,2-9,12H2,1H3.
What are the key properties of 2,4-dichloro-N-decylaniline?
2,4-dichloro-N-decylaniline has a molecular weight of 302.29 g/mol, XLogP of 6.55, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-decylaniline is sourced from PubChem (CID 63489638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).