2-(4-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine

C14H18ClNO2 — CID 105179377

IUPAC2-(4-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine
SMILESCNC(COc1ccc(Cl)cc1)C1=COCCC1
InChIInChI=1S/C14H18ClNO2/c1-16-14(11-3-2-8-17-9-11)10-18-13-6-4-12(15)5-7-13/h4-7,9,14,16H,2-3,8,10H2,1H3
InChIKeyUEZFLTMEOJHLKX-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.00
Rot. Bonds5

About 2-(4-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine

2-(4-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine (PubChem CID 105179377) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine
PubChem CID105179377
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name2-(4-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine
SMILESCNC(COc1ccc(Cl)cc1)C1=COCCC1
InChIInChI=1S/C14H18ClNO2/c1-16-14(11-3-2-8-17-9-11)10-18-13-6-4-12(15)5-7-13/h4-7,9,14,16H,2-3,8,10H2,1H3
InChIKeyUEZFLTMEOJHLKX-UHFFFAOYSA-N
XLogP3.00
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylethanamine
CID 102648745
1-(3,4-dihydro-2H-pyran-5-yl)-N-methyldodecan-1-amine
CID 105033323
2-(4-chlorophenoxy)-N-methyl-1-(oxan-3-yl)ethanamine
CID 107139197
2-(4-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 105143051
2-(4-chlorophenoxy)-1-(2,4-difluorophenyl)-N-methylethanamine
CID 105143748
2-(4-chlorophenoxy)-1-(2-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 103397391
1-(4-chlorophenoxy)-3-methoxy-N-methylpropan-2-amine
CID 105165684
(4-butoxyphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine
CID 105179416
1-(4-chlorophenoxy)-N-methylhexan-2-amine
CID 105125626
[1-(3,4-dihydro-2H-pyran-5-yl)-3-pyridin-2-ylpropyl]hydrazine
CID 105333191
1-(4-chloro-2,5-difluorophenyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine
CID 105033221
1-(3-chloro-4-methylphenyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine
CID 105033548

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine?
The IUPAC name of 2-(4-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine (CID 105179377) is 2-(4-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine?
The canonical SMILES for 2-(4-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine is CNC(COc1ccc(Cl)cc1)C1=COCCC1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine?
The InChIKey is UEZFLTMEOJHLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-16-14(11-3-2-8-17-9-11)10-18-13-6-4-12(15)5-7-13/h4-7,9,14,16H,2-3,8,10H2,1H3.
What are the key properties of 2-(4-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine?
2-(4-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine has a molecular weight of 267.76 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine is sourced from PubChem (CID 105179377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).