2-(5-chloro-2-methoxyphenyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine

C14H20ClNO3 — CID 65352823

IUPAC2-(5-chloro-2-methoxyphenyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine
SMILESCNC(Cc1cc(Cl)ccc1OC)C1COCCO1
InChIInChI=1S/C14H20ClNO3/c1-16-12(14-9-18-5-6-19-14)8-10-7-11(15)3-4-13(10)17-2/h3-4,7,12,14,16H,5-6,8-9H2,1-2H3
InChIKeyVNXZLFVMKNZQEQ-UHFFFAOYSA-N
MW285.77 g/mol
LogP1.89
Rot. Bonds5

About 2-(5-chloro-2-methoxyphenyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine

2-(5-chloro-2-methoxyphenyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine (PubChem CID 65352823) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine
PubChem CID65352823
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name2-(5-chloro-2-methoxyphenyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine
SMILESCNC(Cc1cc(Cl)ccc1OC)C1COCCO1
InChIInChI=1S/C14H20ClNO3/c1-16-12(14-9-18-5-6-19-14)8-10-7-11(15)3-4-13(10)17-2/h3-4,7,12,14,16H,5-6,8-9H2,1-2H3
InChIKeyVNXZLFVMKNZQEQ-UHFFFAOYSA-N
XLogP1.89
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 65330019
2-(2,5-difluorophenyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine
CID 65352627
2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)ethanamine
CID 115844831
N-[1-(1,4-dioxan-2-yl)-2-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine
CID 65352285
2-(3,4-difluorophenyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine
CID 115875400
1-(1,4-dioxan-2-yl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 65352933
2-(5-bromo-2-methoxyphenyl)-1-(1,4-dioxan-2-yl)ethanol
CID 65350705
2-(5-chloro-2-methoxyphenyl)-1-(2,2-dimethylcyclopentyl)-N-methylethanamine
CID 107188374
1-(1,4-dioxan-2-yl)-N-methyl-2-naphthalen-1-ylethanamine
CID 65352577
2-(5-chloro-2-fluorophenyl)-N-methyl-1-(oxan-2-yl)ethanamine
CID 103053273
3-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-N-methylpropan-1-amine
CID 63354851
1-(5-chlorofuran-2-yl)-2-(5-chloro-2-methoxyphenyl)-N-methylethanamine
CID 106691825

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine (CID 65352823) is 2-(5-chloro-2-methoxyphenyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine is CNC(Cc1cc(Cl)ccc1OC)C1COCCO1.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine?
The InChIKey is VNXZLFVMKNZQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-16-12(14-9-18-5-6-19-14)8-10-7-11(15)3-4-13(10)17-2/h3-4,7,12,14,16H,5-6,8-9H2,1-2H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine?
2-(5-chloro-2-methoxyphenyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine has a molecular weight of 285.77 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine is sourced from PubChem (CID 65352823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).