N-[(5-chloro-2-prop-2-enoxyphenyl)methyl]cyclopentanamine;hydrochloride

C15H21Cl2NO — CID 2959706

IUPACN-[(5-chloro-2-prop-2-enoxyphenyl)methyl]cyclopentanamine;hydrochloride
SMILESC=CCOc1ccc(Cl)cc1CNC1CCCC1.Cl
InChIInChI=1S/C15H20ClNO.ClH/c1-2-9-18-15-8-7-13(16)10-12(15)11-17-14-5-3-4-6-14;/h2,7-8,10,14,17H,1,3-6,9,11H2;1H
InChIKeyBPKRJFFZPXHCHW-UHFFFAOYSA-N
MW302.25 g/mol
LogP4.36
Rot. Bonds6

About N-[(5-chloro-2-prop-2-enoxyphenyl)methyl]cyclopentanamine;hydrochloride

N-[(5-chloro-2-prop-2-enoxyphenyl)methyl]cyclopentanamine;hydrochloride (PubChem CID 2959706) has the molecular formula C15H21Cl2NO and a molecular weight of 302.25 g/mol. Its IUPAC name is N-[(5-chloro-2-prop-2-enoxyphenyl)methyl]cyclopentanamine;hydrochloride.

Molecular Properties

Compound NameN-[(5-chloro-2-prop-2-enoxyphenyl)methyl]cyclopentanamine;hydrochloride
PubChem CID2959706
Molecular FormulaC15H21Cl2NO
Molecular Weight302.25 g/mol
Exact Mass301.10
IUPAC NameN-[(5-chloro-2-prop-2-enoxyphenyl)methyl]cyclopentanamine;hydrochloride
SMILESC=CCOc1ccc(Cl)cc1CNC1CCCC1.Cl
InChIInChI=1S/C15H20ClNO.ClH/c1-2-9-18-15-8-7-13(16)10-12(15)11-17-14-5-3-4-6-14;/h2,7-8,10,14,17H,1,3-6,9,11H2;1H
InChIKeyBPKRJFFZPXHCHW-UHFFFAOYSA-N
XLogP4.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-prop-2-enoxyphenyl)methyl]cyclopentanamine;hydrochloride?
The IUPAC name of N-[(5-chloro-2-prop-2-enoxyphenyl)methyl]cyclopentanamine;hydrochloride (CID 2959706) is N-[(5-chloro-2-prop-2-enoxyphenyl)methyl]cyclopentanamine;hydrochloride.
What is the SMILES notation for N-[(5-chloro-2-prop-2-enoxyphenyl)methyl]cyclopentanamine;hydrochloride?
The canonical SMILES for N-[(5-chloro-2-prop-2-enoxyphenyl)methyl]cyclopentanamine;hydrochloride is C=CCOc1ccc(Cl)cc1CNC1CCCC1.Cl.
What is the InChIKey of N-[(5-chloro-2-prop-2-enoxyphenyl)methyl]cyclopentanamine;hydrochloride?
The InChIKey is BPKRJFFZPXHCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO.ClH/c1-2-9-18-15-8-7-13(16)10-12(15)11-17-14-5-3-4-6-14;/h2,7-8,10,14,17H,1,3-6,9,11H2;1H.
What are the key properties of N-[(5-chloro-2-prop-2-enoxyphenyl)methyl]cyclopentanamine;hydrochloride?
N-[(5-chloro-2-prop-2-enoxyphenyl)methyl]cyclopentanamine;hydrochloride has a molecular weight of 302.25 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-prop-2-enoxyphenyl)methyl]cyclopentanamine;hydrochloride is sourced from PubChem (CID 2959706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).