3-ethyl-N-[(2,3,6-trichlorophenyl)methyl]cyclohexan-1-amine

C15H20Cl3N — CID 78999328

IUPAC3-ethyl-N-[(2,3,6-trichlorophenyl)methyl]cyclohexan-1-amine
SMILESCCC1CCCC(NCc2c(Cl)ccc(Cl)c2Cl)C1
InChIInChI=1S/C15H20Cl3N/c1-2-10-4-3-5-11(8-10)19-9-12-13(16)6-7-14(17)15(12)18/h6-7,10-11,19H,2-5,8-9H2,1H3
InChIKeyIPKRVGHXOBSQGV-UHFFFAOYSA-N
MW320.69 g/mol
LogP5.71
Rot. Bonds4

About 3-ethyl-N-[(2,3,6-trichlorophenyl)methyl]cyclohexan-1-amine

3-ethyl-N-[(2,3,6-trichlorophenyl)methyl]cyclohexan-1-amine (PubChem CID 78999328) has the molecular formula C15H20Cl3N and a molecular weight of 320.69 g/mol. Its IUPAC name is 3-ethyl-N-[(2,3,6-trichlorophenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-ethyl-N-[(2,3,6-trichlorophenyl)methyl]cyclohexan-1-amine
PubChem CID78999328
Molecular FormulaC15H20Cl3N
Molecular Weight320.69 g/mol
Exact Mass319.07
IUPAC Name3-ethyl-N-[(2,3,6-trichlorophenyl)methyl]cyclohexan-1-amine
SMILESCCC1CCCC(NCc2c(Cl)ccc(Cl)c2Cl)C1
InChIInChI=1S/C15H20Cl3N/c1-2-10-4-3-5-11(8-10)19-9-12-13(16)6-7-14(17)15(12)18/h6-7,10-11,19H,2-5,8-9H2,1H3
InChIKeyIPKRVGHXOBSQGV-UHFFFAOYSA-N
XLogP5.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.69
LogP ≤ 55.71
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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Related Compounds

N-[(2,6-difluorophenyl)methyl]-3-ethylcyclohexan-1-amine
CID 64742190
N-[(4-cyclopropylphenyl)methyl]-3-ethylcyclohexan-1-amine
CID 79983701
N-[(2,6-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63454775
N-[(2-chloro-6-methoxyphenyl)methyl]-4-ethylcycloheptan-1-amine
CID 103291935
4-bromo-2-[[(3-ethylcyclohexyl)amino]methyl]phenol
CID 107737894
methyl 2-[[(3-ethylcyclohexyl)amino]methyl]benzoate
CID 64741423
1-cyclohexyl-N-[(2,3,6-trichlorophenyl)methyl]methanamine
CID 43234592
4-[[(3-ethylcyclohexyl)amino]methyl]-3-methylbenzonitrile
CID 114480408
2-[[(3-ethylcyclohexyl)amino]methyl]-6-methoxyphenol
CID 64742005
1-[4-[(2,3,6-trichlorophenyl)methylamino]piperidin-1-yl]ethanone
CID 43234694
4-[[(3-ethylcyclohexyl)amino]methyl]-2,6-dimethylphenol
CID 64742198
cis-(1R,3S)-3-ethyl-N-methylcyclohexan-1-amine
CID 129149436

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(2,3,6-trichlorophenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 3-ethyl-N-[(2,3,6-trichlorophenyl)methyl]cyclohexan-1-amine (CID 78999328) is 3-ethyl-N-[(2,3,6-trichlorophenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3-ethyl-N-[(2,3,6-trichlorophenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 3-ethyl-N-[(2,3,6-trichlorophenyl)methyl]cyclohexan-1-amine is CCC1CCCC(NCc2c(Cl)ccc(Cl)c2Cl)C1.
What is the InChIKey of 3-ethyl-N-[(2,3,6-trichlorophenyl)methyl]cyclohexan-1-amine?
The InChIKey is IPKRVGHXOBSQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl3N/c1-2-10-4-3-5-11(8-10)19-9-12-13(16)6-7-14(17)15(12)18/h6-7,10-11,19H,2-5,8-9H2,1H3.
What are the key properties of 3-ethyl-N-[(2,3,6-trichlorophenyl)methyl]cyclohexan-1-amine?
3-ethyl-N-[(2,3,6-trichlorophenyl)methyl]cyclohexan-1-amine has a molecular weight of 320.69 g/mol, XLogP of 5.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(2,3,6-trichlorophenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 78999328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).