[1-[(2,3-dichlorophenoxy)methyl]cyclopentyl]methanamine

C13H17Cl2NO — CID 94698292

IUPAC[1-[(2,3-dichlorophenoxy)methyl]cyclopentyl]methanamine
SMILESNCC1(COc2cccc(Cl)c2Cl)CCCC1
InChIInChI=1S/C13H17Cl2NO/c14-10-4-3-5-11(12(10)15)17-9-13(8-16)6-1-2-7-13/h3-5H,1-2,6-9,16H2
InChIKeyYOPWJPAFALPNEY-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.89
Rot. Bonds4

About [1-[(2,3-dichlorophenoxy)methyl]cyclopentyl]methanamine

[1-[(2,3-dichlorophenoxy)methyl]cyclopentyl]methanamine (PubChem CID 94698292) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is [1-[(2,3-dichlorophenoxy)methyl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-[(2,3-dichlorophenoxy)methyl]cyclopentyl]methanamine
PubChem CID94698292
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name[1-[(2,3-dichlorophenoxy)methyl]cyclopentyl]methanamine
SMILESNCC1(COc2cccc(Cl)c2Cl)CCCC1
InChIInChI=1S/C13H17Cl2NO/c14-10-4-3-5-11(12(10)15)17-9-13(8-16)6-1-2-7-13/h3-5H,1-2,6-9,16H2
InChIKeyYOPWJPAFALPNEY-UHFFFAOYSA-N
XLogP3.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[(2,3-dichlorophenoxy)methyl]cyclopentyl]methanamine?
The IUPAC name of [1-[(2,3-dichlorophenoxy)methyl]cyclopentyl]methanamine (CID 94698292) is [1-[(2,3-dichlorophenoxy)methyl]cyclopentyl]methanamine.
What is the SMILES notation for [1-[(2,3-dichlorophenoxy)methyl]cyclopentyl]methanamine?
The canonical SMILES for [1-[(2,3-dichlorophenoxy)methyl]cyclopentyl]methanamine is NCC1(COc2cccc(Cl)c2Cl)CCCC1.
What is the InChIKey of [1-[(2,3-dichlorophenoxy)methyl]cyclopentyl]methanamine?
The InChIKey is YOPWJPAFALPNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c14-10-4-3-5-11(12(10)15)17-9-13(8-16)6-1-2-7-13/h3-5H,1-2,6-9,16H2.
What are the key properties of [1-[(2,3-dichlorophenoxy)methyl]cyclopentyl]methanamine?
[1-[(2,3-dichlorophenoxy)methyl]cyclopentyl]methanamine has a molecular weight of 274.19 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,3-dichlorophenoxy)methyl]cyclopentyl]methanamine is sourced from PubChem (CID 94698292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).