1-cyclohexyl-N-[(2,3,6-trichlorophenyl)methyl]methanamine

C14H18Cl3N — CID 43234592

IUPAC1-cyclohexyl-N-[(2,3,6-trichlorophenyl)methyl]methanamine
SMILESClc1ccc(Cl)c(CNCC2CCCCC2)c1Cl
InChIInChI=1S/C14H18Cl3N/c15-12-6-7-13(16)14(17)11(12)9-18-8-10-4-2-1-3-5-10/h6-7,10,18H,1-5,8-9H2
InChIKeyFNDGHBSORSHSIV-UHFFFAOYSA-N
MW306.66 g/mol
LogP5.32
Rot. Bonds4

About 1-cyclohexyl-N-[(2,3,6-trichlorophenyl)methyl]methanamine

1-cyclohexyl-N-[(2,3,6-trichlorophenyl)methyl]methanamine (PubChem CID 43234592) has the molecular formula C14H18Cl3N and a molecular weight of 306.66 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(2,3,6-trichlorophenyl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-[(2,3,6-trichlorophenyl)methyl]methanamine
PubChem CID43234592
Molecular FormulaC14H18Cl3N
Molecular Weight306.66 g/mol
Exact Mass305.05
IUPAC Name1-cyclohexyl-N-[(2,3,6-trichlorophenyl)methyl]methanamine
SMILESClc1ccc(Cl)c(CNCC2CCCCC2)c1Cl
InChIInChI=1S/C14H18Cl3N/c15-12-6-7-13(16)14(17)11(12)9-18-8-10-4-2-1-3-5-10/h6-7,10,18H,1-5,8-9H2
InChIKeyFNDGHBSORSHSIV-UHFFFAOYSA-N
XLogP5.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.66
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(2,3,6-trichlorophenyl)methyl]methanamine?
The IUPAC name of 1-cyclohexyl-N-[(2,3,6-trichlorophenyl)methyl]methanamine (CID 43234592) is 1-cyclohexyl-N-[(2,3,6-trichlorophenyl)methyl]methanamine.
What is the SMILES notation for 1-cyclohexyl-N-[(2,3,6-trichlorophenyl)methyl]methanamine?
The canonical SMILES for 1-cyclohexyl-N-[(2,3,6-trichlorophenyl)methyl]methanamine is Clc1ccc(Cl)c(CNCC2CCCCC2)c1Cl.
What is the InChIKey of 1-cyclohexyl-N-[(2,3,6-trichlorophenyl)methyl]methanamine?
The InChIKey is FNDGHBSORSHSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl3N/c15-12-6-7-13(16)14(17)11(12)9-18-8-10-4-2-1-3-5-10/h6-7,10,18H,1-5,8-9H2.
What are the key properties of 1-cyclohexyl-N-[(2,3,6-trichlorophenyl)methyl]methanamine?
1-cyclohexyl-N-[(2,3,6-trichlorophenyl)methyl]methanamine has a molecular weight of 306.66 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(2,3,6-trichlorophenyl)methyl]methanamine is sourced from PubChem (CID 43234592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).