2-(4-chlorophenoxy)-N-methyl-1-(oxan-3-yl)ethanamine

C14H20ClNO2 — CID 107139197

IUPAC2-(4-chlorophenoxy)-N-methyl-1-(oxan-3-yl)ethanamine
SMILESCNC(COc1ccc(Cl)cc1)C1CCCOC1
InChIInChI=1S/C14H20ClNO2/c1-16-14(11-3-2-8-17-9-11)10-18-13-6-4-12(15)5-7-13/h4-7,11,14,16H,2-3,8-10H2,1H3
InChIKeyRFGKQAQESLEXPA-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.73
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-methyl-1-(oxan-3-yl)ethanamine

2-(4-chlorophenoxy)-N-methyl-1-(oxan-3-yl)ethanamine (PubChem CID 107139197) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-methyl-1-(oxan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-methyl-1-(oxan-3-yl)ethanamine
PubChem CID107139197
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name2-(4-chlorophenoxy)-N-methyl-1-(oxan-3-yl)ethanamine
SMILESCNC(COc1ccc(Cl)cc1)C1CCCOC1
InChIInChI=1S/C14H20ClNO2/c1-16-14(11-3-2-8-17-9-11)10-18-13-6-4-12(15)5-7-13/h4-7,11,14,16H,2-3,8-10H2,1H3
InChIKeyRFGKQAQESLEXPA-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-methyl-1-(oxan-3-yl)ethanamine
CID 107136522
3-(4-chlorophenoxy)-2-(oxolan-3-yl)propan-1-ol
CID 117237923
2-(5-bromo-2-pyridinyl)-N-methyl-1-(oxan-3-yl)ethanamine
CID 104802480
[2-(4-chlorophenoxy)-1-cyclobutylethyl]hydrazine
CID 105340102
2-(4-chlorophenyl)-N-ethyl-1-(oxan-3-yl)ethanamine
CID 63015076
2-(2-chloro-3-fluorophenyl)-N-methyl-1-(oxan-3-yl)ethanamine
CID 112653793
2-(4-tert-butylphenoxy)-1-cyclohexyl-N-methylethanamine
CID 104748472
2-[[2-(4-chlorophenoxy)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120548047
2-(3-tert-butylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104749046
N-methyl-1-(oxan-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethanamine
CID 65331754
N-methyl-1-(oxolan-3-yl)-2-(2-phenoxyethoxy)ethanamine
CID 104748707
2-(4-chlorophenoxy)-1-cycloheptylethanol
CID 105122069

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-methyl-1-(oxan-3-yl)ethanamine?
The IUPAC name of 2-(4-chlorophenoxy)-N-methyl-1-(oxan-3-yl)ethanamine (CID 107139197) is 2-(4-chlorophenoxy)-N-methyl-1-(oxan-3-yl)ethanamine.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-methyl-1-(oxan-3-yl)ethanamine?
The canonical SMILES for 2-(4-chlorophenoxy)-N-methyl-1-(oxan-3-yl)ethanamine is CNC(COc1ccc(Cl)cc1)C1CCCOC1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-methyl-1-(oxan-3-yl)ethanamine?
The InChIKey is RFGKQAQESLEXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-16-14(11-3-2-8-17-9-11)10-18-13-6-4-12(15)5-7-13/h4-7,11,14,16H,2-3,8-10H2,1H3.
What are the key properties of 2-(4-chlorophenoxy)-N-methyl-1-(oxan-3-yl)ethanamine?
2-(4-chlorophenoxy)-N-methyl-1-(oxan-3-yl)ethanamine has a molecular weight of 269.77 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-methyl-1-(oxan-3-yl)ethanamine is sourced from PubChem (CID 107139197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).