[2-(2,4-dichlorophenoxy)cyclopentyl]methanamine

C12H15Cl2NO — CID 43531164

IUPAC[2-(2,4-dichlorophenoxy)cyclopentyl]methanamine
SMILESNCC1CCCC1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H15Cl2NO/c13-9-4-5-12(10(14)6-9)16-11-3-1-2-8(11)7-15/h4-6,8,11H,1-3,7,15H2
InChIKeyCNFCXUUFLVZSMI-UHFFFAOYSA-N
MW260.16 g/mol
LogP3.50
Rot. Bonds3

About [2-(2,4-dichlorophenoxy)cyclopentyl]methanamine

[2-(2,4-dichlorophenoxy)cyclopentyl]methanamine (PubChem CID 43531164) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is [2-(2,4-dichlorophenoxy)cyclopentyl]methanamine.

Molecular Properties

Compound Name[2-(2,4-dichlorophenoxy)cyclopentyl]methanamine
PubChem CID43531164
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name[2-(2,4-dichlorophenoxy)cyclopentyl]methanamine
SMILESNCC1CCCC1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H15Cl2NO/c13-9-4-5-12(10(14)6-9)16-11-3-1-2-8(11)7-15/h4-6,8,11H,1-3,7,15H2
InChIKeyCNFCXUUFLVZSMI-UHFFFAOYSA-N
XLogP3.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2,4-dichlorophenoxy)cyclohexyl]methanamine
CID 43531169
[2-(2,4-dichlorophenoxy)-4-methylcyclohexyl]methanamine
CID 43531167
2-(2,4-dichlorophenoxy)cyclohexan-1-ol
CID 60728407
[2-(3,5-dichlorophenoxy)cyclohexyl]methanamine
CID 43621910
[2-(2-methylphenoxy)cyclopentyl]methanamine
CID 43293964
[2-(4-tert-butyl-2-methylphenoxy)cyclohexyl]methanamine
CID 43294229
[2-(4-tert-butyl-2-methylphenoxy)cycloheptyl]methanamine
CID 43294228
5-chloro-2-(2-ethylcyclohexyl)oxybenzenecarboximidamide
CID 62494620
[2-(2,3,5-trimethylphenoxy)cycloheptyl]methanamine
CID 43294102
2-[2-(aminomethyl)cyclohexyl]oxy-4-fluoroaniline
CID 117095540
[2-(4-methylphenoxy)cyclopentyl]methanamine
CID 43294044
5-chloro-2-(2-ethylcyclohexyl)oxybenzoic acid
CID 63460526

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dichlorophenoxy)cyclopentyl]methanamine?
The IUPAC name of [2-(2,4-dichlorophenoxy)cyclopentyl]methanamine (CID 43531164) is [2-(2,4-dichlorophenoxy)cyclopentyl]methanamine.
What is the SMILES notation for [2-(2,4-dichlorophenoxy)cyclopentyl]methanamine?
The canonical SMILES for [2-(2,4-dichlorophenoxy)cyclopentyl]methanamine is NCC1CCCC1Oc1ccc(Cl)cc1Cl.
What is the InChIKey of [2-(2,4-dichlorophenoxy)cyclopentyl]methanamine?
The InChIKey is CNFCXUUFLVZSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c13-9-4-5-12(10(14)6-9)16-11-3-1-2-8(11)7-15/h4-6,8,11H,1-3,7,15H2.
What are the key properties of [2-(2,4-dichlorophenoxy)cyclopentyl]methanamine?
[2-(2,4-dichlorophenoxy)cyclopentyl]methanamine has a molecular weight of 260.16 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dichlorophenoxy)cyclopentyl]methanamine is sourced from PubChem (CID 43531164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).