2-chloro-N-dodecyl-6-methylaniline

C19H32ClN — CID 66252343

IUPAC2-chloro-N-dodecyl-6-methylaniline
SMILESCCCCCCCCCCCCNc1c(C)cccc1Cl
InChIInChI=1S/C19H32ClN/c1-3-4-5-6-7-8-9-10-11-12-16-21-19-17(2)14-13-15-18(19)20/h13-15,21H,3-12,16H2,1-2H3
InChIKeyVYCIPTLLNXOHKN-UHFFFAOYSA-N
MW309.92 g/mol
LogP6.98
Rot. Bonds12

About 2-chloro-N-dodecyl-6-methylaniline

2-chloro-N-dodecyl-6-methylaniline (PubChem CID 66252343) has the molecular formula C19H32ClN and a molecular weight of 309.92 g/mol. Its IUPAC name is 2-chloro-N-dodecyl-6-methylaniline.

Molecular Properties

Compound Name2-chloro-N-dodecyl-6-methylaniline
PubChem CID66252343
Molecular FormulaC19H32ClN
Molecular Weight309.92 g/mol
Exact Mass309.22
IUPAC Name2-chloro-N-dodecyl-6-methylaniline
SMILESCCCCCCCCCCCCNc1c(C)cccc1Cl
InChIInChI=1S/C19H32ClN/c1-3-4-5-6-7-8-9-10-11-12-16-21-19-17(2)14-13-15-18(19)20/h13-15,21H,3-12,16H2,1-2H3
InChIKeyVYCIPTLLNXOHKN-UHFFFAOYSA-N
XLogP6.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.92
LogP ≤ 56.98
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

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1-(2-Chloro-6-methyl-phenyl)-3-tetradecyl-urea
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Hostacaine
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7-chloro-2,3-dihydro-1H-indole
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3-Chloro-1,13-diazatricyclo[8.6.0.02,7]hexadeca-2(7),3,5-triene
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1-(2-Chloro-6-methyl-phenyl)-3-octadecyl-urea
CID 10071741
Phenethylamine, 3-chloro-4-piperidino-, hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-dodecyl-6-methylaniline?
The IUPAC name of 2-chloro-N-dodecyl-6-methylaniline (CID 66252343) is 2-chloro-N-dodecyl-6-methylaniline.
What is the SMILES notation for 2-chloro-N-dodecyl-6-methylaniline?
The canonical SMILES for 2-chloro-N-dodecyl-6-methylaniline is CCCCCCCCCCCCNc1c(C)cccc1Cl.
What is the InChIKey of 2-chloro-N-dodecyl-6-methylaniline?
The InChIKey is VYCIPTLLNXOHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32ClN/c1-3-4-5-6-7-8-9-10-11-12-16-21-19-17(2)14-13-15-18(19)20/h13-15,21H,3-12,16H2,1-2H3.
What are the key properties of 2-chloro-N-dodecyl-6-methylaniline?
2-chloro-N-dodecyl-6-methylaniline has a molecular weight of 309.92 g/mol, XLogP of 6.98, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-dodecyl-6-methylaniline is sourced from PubChem (CID 66252343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).