N-[(5-chloro-3-methoxy-2-prop-2-enoxyphenyl)methyl]cyclopentanamine;hydrochloride

C16H23Cl2NO2 — CID 2982978

IUPACN-[(5-chloro-3-methoxy-2-prop-2-enoxyphenyl)methyl]cyclopentanamine;hydrochloride
SMILESC=CCOc1c(CNC2CCCC2)cc(Cl)cc1OC.Cl
InChIInChI=1S/C16H22ClNO2.ClH/c1-3-8-20-16-12(9-13(17)10-15(16)19-2)11-18-14-6-4-5-7-14;/h3,9-10,14,18H,1,4-8,11H2,2H3;1H
InChIKeyNUIZCHIYRQTGMC-UHFFFAOYSA-N
MW332.27 g/mol
LogP4.37
Rot. Bonds7

About N-[(5-chloro-3-methoxy-2-prop-2-enoxyphenyl)methyl]cyclopentanamine;hydrochloride

N-[(5-chloro-3-methoxy-2-prop-2-enoxyphenyl)methyl]cyclopentanamine;hydrochloride (PubChem CID 2982978) has the molecular formula C16H23Cl2NO2 and a molecular weight of 332.27 g/mol. Its IUPAC name is N-[(5-chloro-3-methoxy-2-prop-2-enoxyphenyl)methyl]cyclopentanamine;hydrochloride.

Molecular Properties

Compound NameN-[(5-chloro-3-methoxy-2-prop-2-enoxyphenyl)methyl]cyclopentanamine;hydrochloride
PubChem CID2982978
Molecular FormulaC16H23Cl2NO2
Molecular Weight332.27 g/mol
Exact Mass331.11
IUPAC NameN-[(5-chloro-3-methoxy-2-prop-2-enoxyphenyl)methyl]cyclopentanamine;hydrochloride
SMILESC=CCOc1c(CNC2CCCC2)cc(Cl)cc1OC.Cl
InChIInChI=1S/C16H22ClNO2.ClH/c1-3-8-20-16-12(9-13(17)10-15(16)19-2)11-18-14-6-4-5-7-14;/h3,9-10,14,18H,1,4-8,11H2,2H3;1H
InChIKeyNUIZCHIYRQTGMC-UHFFFAOYSA-N
XLogP4.37
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.27
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-Chloro-2-isopropoxy-3-methoxybenzyl)methylamine hydrochloride
CID 2960537
N-(3-chloro-5-ethoxy-4-propoxybenzyl)-1-butanamine hydrochloride
CID 2962384
N-{3-chloro-4-[(2-chlorobenzyl)oxy]-5-methoxybenzyl}cyclopentanamine hydrochloride
CID 2962400
N-(3-chloro-4-ethoxy-5-methoxybenzyl)-2,4,4-trimethyl-2-pentanamine hydrochloride
CID 2978512
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]cyclopentanamine
CID 4715615
N-[4-(benzyloxy)-3-chloro-5-ethoxybenzyl]cyclopentanamine hydrochloride
CID 2950681
N-(3-chloro-4-ethoxy-5-methoxybenzyl)-2-methyl-1-propanamine hydrochloride
CID 2959475
N-[2-(allyloxy)-5-chlorobenzyl]cyclopentanamine hydrochloride
CID 2959706
2-({2-[(2-Chlorobenzyl)oxy]-3-methoxybenzyl}amino)ethanol hydrochloride
CID 2960239
N-{4-[(2-chlorobenzyl)oxy]-3-ethoxybenzyl}cyclopentanamine hydrochloride
CID 2980253
N-{3-chloro-4-[(2-fluorobenzyl)oxy]-5-methoxybenzyl}-N-cyclopentylamine
CID 11948817
CID 11948820
CID 11948820

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-3-methoxy-2-prop-2-enoxyphenyl)methyl]cyclopentanamine;hydrochloride?
The IUPAC name of N-[(5-chloro-3-methoxy-2-prop-2-enoxyphenyl)methyl]cyclopentanamine;hydrochloride (CID 2982978) is N-[(5-chloro-3-methoxy-2-prop-2-enoxyphenyl)methyl]cyclopentanamine;hydrochloride.
What is the SMILES notation for N-[(5-chloro-3-methoxy-2-prop-2-enoxyphenyl)methyl]cyclopentanamine;hydrochloride?
The canonical SMILES for N-[(5-chloro-3-methoxy-2-prop-2-enoxyphenyl)methyl]cyclopentanamine;hydrochloride is C=CCOc1c(CNC2CCCC2)cc(Cl)cc1OC.Cl.
What is the InChIKey of N-[(5-chloro-3-methoxy-2-prop-2-enoxyphenyl)methyl]cyclopentanamine;hydrochloride?
The InChIKey is NUIZCHIYRQTGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2.ClH/c1-3-8-20-16-12(9-13(17)10-15(16)19-2)11-18-14-6-4-5-7-14;/h3,9-10,14,18H,1,4-8,11H2,2H3;1H.
What are the key properties of N-[(5-chloro-3-methoxy-2-prop-2-enoxyphenyl)methyl]cyclopentanamine;hydrochloride?
N-[(5-chloro-3-methoxy-2-prop-2-enoxyphenyl)methyl]cyclopentanamine;hydrochloride has a molecular weight of 332.27 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-3-methoxy-2-prop-2-enoxyphenyl)methyl]cyclopentanamine;hydrochloride is sourced from PubChem (CID 2982978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).