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

C14H19Cl2NO — CID 115843395

IUPAC2-(3,4-dichlorophenyl)-N-methyl-1-(oxan-2-yl)ethanamine
SMILESCNC(Cc1ccc(Cl)c(Cl)c1)C1CCCCO1
InChIInChI=1S/C14H19Cl2NO/c1-17-13(14-4-2-3-7-18-14)9-10-5-6-11(15)12(16)8-10/h5-6,8,13-14,17H,2-4,7,9H2,1H3
InChIKeySTAHOLWLXDORAZ-UHFFFAOYSA-N
MW288.22 g/mol
LogP3.69
Rot. Bonds4

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

2-(3,4-dichlorophenyl)-N-methyl-1-(oxan-2-yl)ethanamine (PubChem CID 115843395) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-methyl-1-(oxan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-methyl-1-(oxan-2-yl)ethanamine
PubChem CID115843395
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC Name2-(3,4-dichlorophenyl)-N-methyl-1-(oxan-2-yl)ethanamine
SMILESCNC(Cc1ccc(Cl)c(Cl)c1)C1CCCCO1
InChIInChI=1S/C14H19Cl2NO/c1-17-13(14-4-2-3-7-18-14)9-10-5-6-11(15)12(16)8-10/h5-6,8,13-14,17H,2-4,7,9H2,1H3
InChIKeySTAHOLWLXDORAZ-UHFFFAOYSA-N
XLogP3.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-4-fluorophenyl)-N-methyl-1-(oxan-2-yl)ethanamine
CID 103043459
N-[2-(3,4-dichlorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine
CID 115843397
2-(3,4-dichlorophenyl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine
CID 115843383
2-(4-fluorophenyl)-N-methyl-1-(oxolan-2-yl)ethanamine
CID 61063961
N-methyl-1-(oxan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 115849284
2-(5-chloro-2-fluorophenyl)-N-methyl-1-(oxan-2-yl)ethanamine
CID 103053273
(1S)-N-methyl-2-(3-methylphenyl)-1-[(2S)-oxolan-2-yl]ethanamine
CID 124509379
4-[2-(methylamino)-2-(oxolan-2-yl)ethyl]pyridin-2-amine
CID 65328852
2-(5-chlorothiophen-2-yl)-N-methyl-1-(oxan-2-yl)ethanamine
CID 115841757
N-[(3,4-dichlorophenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208415
2-(3,4-dichlorophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine
CID 65424347
2-(3-chloro-4-fluorophenyl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine
CID 103040293

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-methyl-1-(oxan-2-yl)ethanamine?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-methyl-1-(oxan-2-yl)ethanamine (CID 115843395) is 2-(3,4-dichlorophenyl)-N-methyl-1-(oxan-2-yl)ethanamine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-methyl-1-(oxan-2-yl)ethanamine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-methyl-1-(oxan-2-yl)ethanamine is CNC(Cc1ccc(Cl)c(Cl)c1)C1CCCCO1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-methyl-1-(oxan-2-yl)ethanamine?
The InChIKey is STAHOLWLXDORAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c1-17-13(14-4-2-3-7-18-14)9-10-5-6-11(15)12(16)8-10/h5-6,8,13-14,17H,2-4,7,9H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-N-methyl-1-(oxan-2-yl)ethanamine?
2-(3,4-dichlorophenyl)-N-methyl-1-(oxan-2-yl)ethanamine has a molecular weight of 288.22 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-methyl-1-(oxan-2-yl)ethanamine is sourced from PubChem (CID 115843395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).