2,6-dichloro-4-[[methyl-(2-methylcyclohexyl)amino]methyl]aniline

C15H22Cl2N2 — CID 82833472

IUPAC2,6-dichloro-4-[[methyl-(2-methylcyclohexyl)amino]methyl]aniline
SMILESCC1CCCCC1N(C)Cc1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C15H22Cl2N2/c1-10-5-3-4-6-14(10)19(2)9-11-7-12(16)15(18)13(17)8-11/h7-8,10,14H,3-6,9,18H2,1-2H3
InChIKeyHHTGJRMKNBSXKQ-UHFFFAOYSA-N
MW301.26 g/mol
LogP4.59
Rot. Bonds3

About 2,6-dichloro-4-[[methyl-(2-methylcyclohexyl)amino]methyl]aniline

2,6-dichloro-4-[[methyl-(2-methylcyclohexyl)amino]methyl]aniline (PubChem CID 82833472) has the molecular formula C15H22Cl2N2 and a molecular weight of 301.26 g/mol. Its IUPAC name is 2,6-dichloro-4-[[methyl-(2-methylcyclohexyl)amino]methyl]aniline.

Molecular Properties

Compound Name2,6-dichloro-4-[[methyl-(2-methylcyclohexyl)amino]methyl]aniline
PubChem CID82833472
Molecular FormulaC15H22Cl2N2
Molecular Weight301.26 g/mol
Exact Mass300.12
IUPAC Name2,6-dichloro-4-[[methyl-(2-methylcyclohexyl)amino]methyl]aniline
SMILESCC1CCCCC1N(C)Cc1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C15H22Cl2N2/c1-10-5-3-4-6-14(10)19(2)9-11-7-12(16)15(18)13(17)8-11/h7-8,10,14H,3-6,9,18H2,1-2H3
InChIKeyHHTGJRMKNBSXKQ-UHFFFAOYSA-N
XLogP4.59
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[[methyl-(2-methylcyclohexyl)amino]methyl]aniline?
The IUPAC name of 2,6-dichloro-4-[[methyl-(2-methylcyclohexyl)amino]methyl]aniline (CID 82833472) is 2,6-dichloro-4-[[methyl-(2-methylcyclohexyl)amino]methyl]aniline.
What is the SMILES notation for 2,6-dichloro-4-[[methyl-(2-methylcyclohexyl)amino]methyl]aniline?
The canonical SMILES for 2,6-dichloro-4-[[methyl-(2-methylcyclohexyl)amino]methyl]aniline is CC1CCCCC1N(C)Cc1cc(Cl)c(N)c(Cl)c1.
What is the InChIKey of 2,6-dichloro-4-[[methyl-(2-methylcyclohexyl)amino]methyl]aniline?
The InChIKey is HHTGJRMKNBSXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2/c1-10-5-3-4-6-14(10)19(2)9-11-7-12(16)15(18)13(17)8-11/h7-8,10,14H,3-6,9,18H2,1-2H3.
What are the key properties of 2,6-dichloro-4-[[methyl-(2-methylcyclohexyl)amino]methyl]aniline?
2,6-dichloro-4-[[methyl-(2-methylcyclohexyl)amino]methyl]aniline has a molecular weight of 301.26 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[[methyl-(2-methylcyclohexyl)amino]methyl]aniline is sourced from PubChem (CID 82833472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).