N-[2-(2,3-dichlorophenoxy)propyl]cyclopentanamine

C14H19Cl2NO — CID 62599040

IUPACN-[2-(2,3-dichlorophenoxy)propyl]cyclopentanamine
SMILESCC(CNC1CCCC1)Oc1cccc(Cl)c1Cl
InChIInChI=1S/C14H19Cl2NO/c1-10(9-17-11-5-2-3-6-11)18-13-8-4-7-12(15)14(13)16/h4,7-8,10-11,17H,2-3,5-6,9H2,1H3
InChIKeyZPYHDANJWOTBJT-UHFFFAOYSA-N
MW288.22 g/mol
LogP4.29
Rot. Bonds5

About N-[2-(2,3-dichlorophenoxy)propyl]cyclopentanamine

N-[2-(2,3-dichlorophenoxy)propyl]cyclopentanamine (PubChem CID 62599040) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is N-[2-(2,3-dichlorophenoxy)propyl]cyclopentanamine.

Molecular Properties

Compound NameN-[2-(2,3-dichlorophenoxy)propyl]cyclopentanamine
PubChem CID62599040
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC NameN-[2-(2,3-dichlorophenoxy)propyl]cyclopentanamine
SMILESCC(CNC1CCCC1)Oc1cccc(Cl)c1Cl
InChIInChI=1S/C14H19Cl2NO/c1-10(9-17-11-5-2-3-6-11)18-13-8-4-7-12(15)14(13)16/h4,7-8,10-11,17H,2-3,5-6,9H2,1H3
InChIKeyZPYHDANJWOTBJT-UHFFFAOYSA-N
XLogP4.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-quinolin-8-yloxypropyl)cyclopentanamine
CID 62597334
N-[2-(2-chloro-5-methylphenoxy)propyl]cyclohexanamine
CID 63517678
2-(2,3-dichlorophenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 55093100
N-[2-(4-chlorophenoxy)propyl]cyclohexanamine
CID 46736216
N-[2-(2,6-dimethylphenoxy)propyl]cyclohexanamine
CID 54797698
N-[2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)propyl]cyclopentanamine
CID 63517540
N-[2-(2,4-difluorophenoxy)propyl]cyclohexanamine
CID 62571941
N-[3-(2-chlorophenoxy)-2-methylpropyl]cyclopropanamine
CID 62454591
N-[2-(4-methylphenoxy)propyl]cyclohexanamine
CID 54797714
N-[2-(3-ethoxyphenoxy)propyl]cyclohexanamine
CID 62584741
N-[2-(4-ethoxyphenoxy)propyl]cyclohexanamine
CID 62571326
1-(2,3-dichlorophenoxy)-3-(oxan-4-ylamino)propan-2-ol
CID 111466535

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dichlorophenoxy)propyl]cyclopentanamine?
The IUPAC name of N-[2-(2,3-dichlorophenoxy)propyl]cyclopentanamine (CID 62599040) is N-[2-(2,3-dichlorophenoxy)propyl]cyclopentanamine.
What is the SMILES notation for N-[2-(2,3-dichlorophenoxy)propyl]cyclopentanamine?
The canonical SMILES for N-[2-(2,3-dichlorophenoxy)propyl]cyclopentanamine is CC(CNC1CCCC1)Oc1cccc(Cl)c1Cl.
What is the InChIKey of N-[2-(2,3-dichlorophenoxy)propyl]cyclopentanamine?
The InChIKey is ZPYHDANJWOTBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c1-10(9-17-11-5-2-3-6-11)18-13-8-4-7-12(15)14(13)16/h4,7-8,10-11,17H,2-3,5-6,9H2,1H3.
What are the key properties of N-[2-(2,3-dichlorophenoxy)propyl]cyclopentanamine?
N-[2-(2,3-dichlorophenoxy)propyl]cyclopentanamine has a molecular weight of 288.22 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dichlorophenoxy)propyl]cyclopentanamine is sourced from PubChem (CID 62599040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).