N-[2-(2,4,5-trichlorophenoxy)ethyl]cyclohexanamine

C14H18Cl3NO — CID 55197238

IUPACN-[2-(2,4,5-trichlorophenoxy)ethyl]cyclohexanamine
SMILESClc1cc(Cl)c(OCCNC2CCCCC2)cc1Cl
InChIInChI=1S/C14H18Cl3NO/c15-11-8-13(17)14(9-12(11)16)19-7-6-18-10-4-2-1-3-5-10/h8-10,18H,1-7H2
InChIKeyDHGLNNYIFXFZDD-UHFFFAOYSA-N
MW322.66 g/mol
LogP4.95
Rot. Bonds5

About N-[2-(2,4,5-trichlorophenoxy)ethyl]cyclohexanamine

N-[2-(2,4,5-trichlorophenoxy)ethyl]cyclohexanamine (PubChem CID 55197238) has the molecular formula C14H18Cl3NO and a molecular weight of 322.66 g/mol. Its IUPAC name is N-[2-(2,4,5-trichlorophenoxy)ethyl]cyclohexanamine.

Molecular Properties

Compound NameN-[2-(2,4,5-trichlorophenoxy)ethyl]cyclohexanamine
PubChem CID55197238
Molecular FormulaC14H18Cl3NO
Molecular Weight322.66 g/mol
Exact Mass321.05
IUPAC NameN-[2-(2,4,5-trichlorophenoxy)ethyl]cyclohexanamine
SMILESClc1cc(Cl)c(OCCNC2CCCCC2)cc1Cl
InChIInChI=1S/C14H18Cl3NO/c15-11-8-13(17)14(9-12(11)16)19-7-6-18-10-4-2-1-3-5-10/h8-10,18H,1-7H2
InChIKeyDHGLNNYIFXFZDD-UHFFFAOYSA-N
XLogP4.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.66
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-chloro-4-fluorophenoxy)propyl]cyclopentanamine
CID 62598567
N-[2-(2,3,5-trimethylphenoxy)ethyl]cyclohexanamine
CID 63517014
N-[2-(2-chloro-4-methylphenoxy)ethyl]cyclopropanamine
CID 62671091
N-[2-(2-methoxy-4-methylphenoxy)ethyl]cycloheptanamine
CID 62571722
N-[2-(2-methylphenoxy)ethyl]cycloheptanamine
CID 60688107
N-[2-(2-fluoro-5-methylphenoxy)ethyl]cyclopentanamine
CID 64854315
N-[2-(3-chloro-4-fluorophenoxy)ethyl]cyclopentanamine
CID 55093016
N-[2-(2-chloro-4-nitrophenoxy)ethyl]cyclopropanamine
CID 29015244
N-[2-(5-bromo-2,3-difluorophenoxy)ethyl]cyclohexanamine
CID 107101679
N-[2-(2,4-difluorophenoxy)ethyl]cyclopentanamine
CID 62570847
N-[3-(2,3,4,5,6-pentachlorophenoxy)propyl]cyclopentanamine
CID 63516390
N-[2-(2,4,6-trimethylphenoxy)ethyl]cyclohexanamine
CID 63517327

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4,5-trichlorophenoxy)ethyl]cyclohexanamine?
The IUPAC name of N-[2-(2,4,5-trichlorophenoxy)ethyl]cyclohexanamine (CID 55197238) is N-[2-(2,4,5-trichlorophenoxy)ethyl]cyclohexanamine.
What is the SMILES notation for N-[2-(2,4,5-trichlorophenoxy)ethyl]cyclohexanamine?
The canonical SMILES for N-[2-(2,4,5-trichlorophenoxy)ethyl]cyclohexanamine is Clc1cc(Cl)c(OCCNC2CCCCC2)cc1Cl.
What is the InChIKey of N-[2-(2,4,5-trichlorophenoxy)ethyl]cyclohexanamine?
The InChIKey is DHGLNNYIFXFZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl3NO/c15-11-8-13(17)14(9-12(11)16)19-7-6-18-10-4-2-1-3-5-10/h8-10,18H,1-7H2.
What are the key properties of N-[2-(2,4,5-trichlorophenoxy)ethyl]cyclohexanamine?
N-[2-(2,4,5-trichlorophenoxy)ethyl]cyclohexanamine has a molecular weight of 322.66 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4,5-trichlorophenoxy)ethyl]cyclohexanamine is sourced from PubChem (CID 55197238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).