N-(cyclopentylmethyl)-2-(2,4,6-trichlorophenoxy)ethanamine

C14H18Cl3NO — CID 63505531

IUPACN-(cyclopentylmethyl)-2-(2,4,6-trichlorophenoxy)ethanamine
SMILESClc1cc(Cl)c(OCCNCC2CCCC2)c(Cl)c1
InChIInChI=1S/C14H18Cl3NO/c15-11-7-12(16)14(13(17)8-11)19-6-5-18-9-10-3-1-2-4-10/h7-8,10,18H,1-6,9H2
InChIKeyLWWWURZMVLXDAZ-UHFFFAOYSA-N
MW322.66 g/mol
LogP4.81
Rot. Bonds6

About N-(cyclopentylmethyl)-2-(2,4,6-trichlorophenoxy)ethanamine

N-(cyclopentylmethyl)-2-(2,4,6-trichlorophenoxy)ethanamine (PubChem CID 63505531) has the molecular formula C14H18Cl3NO and a molecular weight of 322.66 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-2-(2,4,6-trichlorophenoxy)ethanamine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-2-(2,4,6-trichlorophenoxy)ethanamine
PubChem CID63505531
Molecular FormulaC14H18Cl3NO
Molecular Weight322.66 g/mol
Exact Mass321.05
IUPAC NameN-(cyclopentylmethyl)-2-(2,4,6-trichlorophenoxy)ethanamine
SMILESClc1cc(Cl)c(OCCNCC2CCCC2)c(Cl)c1
InChIInChI=1S/C14H18Cl3NO/c15-11-7-12(16)14(13(17)8-11)19-6-5-18-9-10-3-1-2-4-10/h7-8,10,18H,1-6,9H2
InChIKeyLWWWURZMVLXDAZ-UHFFFAOYSA-N
XLogP4.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.66
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dichloro-6-methylphenoxy)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 142230559
N-(cyclopropylmethyl)-2-(2,3,4,5,6-pentachlorophenoxy)ethanamine
CID 55195723
N-[2-(2,4,6-trichlorophenoxy)ethyl]prop-2-en-1-amine
CID 21286525
N-[(2,4-dichlorophenyl)methyl]-2-(2,4,6-trichlorophenoxy)ethanamine
CID 67892827
3-methyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]cyclohexan-1-amine
CID 63505530
N-(cyclopropylmethyl)-2-(2,6-dibromophenoxy)ethanamine
CID 62599154
[3,5-dichloro-2-(2-cyclohexylethoxy)phenyl]methanamine
CID 54793716
N-(cyclopentylmethyl)-2-(3,4-dimethylphenoxy)ethanamine
CID 62571201
oxalic acid;2-[3-(2,4,6-trichlorophenoxy)propylamino]ethanol
CID 2865543
N-[2-(2,4,6-trichlorophenoxy)ethyl]oxane-3-carboxamide
CID 75424722
1-cyclohexyl-N-[(3,5-dichlorophenyl)methyl]methanamine
CID 60789647
1-cyclopentyl-N-[(2,4-dichlorophenyl)methyl]methanamine
CID 43317354

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-2-(2,4,6-trichlorophenoxy)ethanamine?
The IUPAC name of N-(cyclopentylmethyl)-2-(2,4,6-trichlorophenoxy)ethanamine (CID 63505531) is N-(cyclopentylmethyl)-2-(2,4,6-trichlorophenoxy)ethanamine.
What is the SMILES notation for N-(cyclopentylmethyl)-2-(2,4,6-trichlorophenoxy)ethanamine?
The canonical SMILES for N-(cyclopentylmethyl)-2-(2,4,6-trichlorophenoxy)ethanamine is Clc1cc(Cl)c(OCCNCC2CCCC2)c(Cl)c1.
What is the InChIKey of N-(cyclopentylmethyl)-2-(2,4,6-trichlorophenoxy)ethanamine?
The InChIKey is LWWWURZMVLXDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl3NO/c15-11-7-12(16)14(13(17)8-11)19-6-5-18-9-10-3-1-2-4-10/h7-8,10,18H,1-6,9H2.
What are the key properties of N-(cyclopentylmethyl)-2-(2,4,6-trichlorophenoxy)ethanamine?
N-(cyclopentylmethyl)-2-(2,4,6-trichlorophenoxy)ethanamine has a molecular weight of 322.66 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-2-(2,4,6-trichlorophenoxy)ethanamine is sourced from PubChem (CID 63505531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).