2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(oxolan-3-yl)ethanamine

C14H20ClNO2 — CID 65330019

IUPAC2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(oxolan-3-yl)ethanamine
SMILESCNC(Cc1cc(Cl)ccc1OC)C1CCOC1
InChIInChI=1S/C14H20ClNO2/c1-16-13(10-5-6-18-9-10)8-11-7-12(15)3-4-14(11)17-2/h3-4,7,10,13,16H,5-6,8-9H2,1-2H3
InChIKeyYGEPIRXCYKLWLB-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.52
Rot. Bonds5

About 2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(oxolan-3-yl)ethanamine

2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(oxolan-3-yl)ethanamine (PubChem CID 65330019) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(oxolan-3-yl)ethanamine
PubChem CID65330019
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(oxolan-3-yl)ethanamine
SMILESCNC(Cc1cc(Cl)ccc1OC)C1CCOC1
InChIInChI=1S/C14H20ClNO2/c1-16-13(10-5-6-18-9-10)8-11-7-12(15)3-4-14(11)17-2/h3-4,7,10,13,16H,5-6,8-9H2,1-2H3
InChIKeyYGEPIRXCYKLWLB-UHFFFAOYSA-N
XLogP2.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine
CID 65352823
2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)ethanamine
CID 115844831
3-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-N-methylpropan-1-amine
CID 63354851
2-(3-chloro-2-fluorophenyl)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 82806276
2-(5-chloro-2-methoxyphenyl)-1-(2,2-dimethylcyclopentyl)-N-methylethanamine
CID 107188374
2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(oxan-3-yl)ethanamine
CID 104794033
[2-(2,4-dichlorophenyl)-1-(oxolan-3-yl)ethyl]hydrazine
CID 105200094
N-[2-(5-chloro-2-methoxyphenyl)-1-cyclohexylethyl]propan-1-amine
CID 63413486
(4-chloro-2-methoxyphenyl)-(oxolan-3-yl)methanol
CID 115798171
1-(5-chlorofuran-2-yl)-2-(5-chloro-2-methoxyphenyl)-N-methylethanamine
CID 106691825
2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-methylcyclohexyl)ethanamine
CID 63415780
1-(5-chloro-2-methoxyphenyl)-3-cyclohexylsulfanyl-N-methylpropan-2-amine
CID 65139555

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(oxolan-3-yl)ethanamine?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(oxolan-3-yl)ethanamine (CID 65330019) is 2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(oxolan-3-yl)ethanamine is CNC(Cc1cc(Cl)ccc1OC)C1CCOC1.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(oxolan-3-yl)ethanamine?
The InChIKey is YGEPIRXCYKLWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-16-13(10-5-6-18-9-10)8-11-7-12(15)3-4-14(11)17-2/h3-4,7,10,13,16H,5-6,8-9H2,1-2H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(oxolan-3-yl)ethanamine?
2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(oxolan-3-yl)ethanamine has a molecular weight of 269.77 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 65330019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).