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

C14H19Cl2NO — CID 113391584

IUPAC1-(2,3-dichlorophenyl)-N-methyl-2-(oxan-2-yl)ethanamine
SMILESCNC(CC1CCCCO1)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H19Cl2NO/c1-17-13(9-10-5-2-3-8-18-10)11-6-4-7-12(15)14(11)16/h4,6-7,10,13,17H,2-3,5,8-9H2,1H3
InChIKeyMBIYLKNZOLEDNC-UHFFFAOYSA-N
MW288.22 g/mol
LogP4.21
Rot. Bonds4

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

1-(2,3-dichlorophenyl)-N-methyl-2-(oxan-2-yl)ethanamine (PubChem CID 113391584) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-methyl-2-(oxan-2-yl)ethanamine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-methyl-2-(oxan-2-yl)ethanamine
PubChem CID113391584
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC Name1-(2,3-dichlorophenyl)-N-methyl-2-(oxan-2-yl)ethanamine
SMILESCNC(CC1CCCCO1)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H19Cl2NO/c1-17-13(9-10-5-2-3-8-18-10)11-6-4-7-12(15)14(11)16/h4,6-7,10,13,17H,2-3,5,8-9H2,1H3
InChIKeyMBIYLKNZOLEDNC-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(2-methylthiophen-3-yl)-2-(oxan-2-yl)ethanamine
CID 102833757
1-(2,3-dichlorophenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 113259759
N-methyl-2-(oxolan-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 62800663
1-(2-chloro-4-fluoro-5-methylphenyl)-N-methyl-2-(oxolan-2-yl)ethanamine
CID 81045054
1-(2,3-dichlorophenyl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine
CID 103546660
N-methyl-1-(4-methyl-3-pyridinyl)-2-(oxolan-2-yl)ethanamine
CID 66272484
N-methyl-1-(2-methylthiophen-3-yl)-2-(oxolan-2-yl)ethanamine
CID 102831896
[1-(2-methylphenyl)-2-(oxan-2-yl)ethyl]hydrazine
CID 105267276
N-methyl-1-(7-methyl-1-benzofuran-2-yl)-2-(oxan-2-yl)ethanamine
CID 114730852
(1R)-1-(2-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 81378620
(1S)-1-(2,3-dichlorophenyl)-N-methylethane-1,2-diamine
CID 94343262
N-[1-(2,3-dichlorophenyl)-2-(1,3-dioxolan-2-yl)ethyl]propan-1-amine
CID 103546661

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-N-methyl-2-(oxan-2-yl)ethanamine?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-methyl-2-(oxan-2-yl)ethanamine (CID 113391584) is 1-(2,3-dichlorophenyl)-N-methyl-2-(oxan-2-yl)ethanamine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-methyl-2-(oxan-2-yl)ethanamine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-methyl-2-(oxan-2-yl)ethanamine is CNC(CC1CCCCO1)c1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-methyl-2-(oxan-2-yl)ethanamine?
The InChIKey is MBIYLKNZOLEDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c1-17-13(9-10-5-2-3-8-18-10)11-6-4-7-12(15)14(11)16/h4,6-7,10,13,17H,2-3,5,8-9H2,1H3.
What are the key properties of 1-(2,3-dichlorophenyl)-N-methyl-2-(oxan-2-yl)ethanamine?
1-(2,3-dichlorophenyl)-N-methyl-2-(oxan-2-yl)ethanamine has a molecular weight of 288.22 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-N-methyl-2-(oxan-2-yl)ethanamine is sourced from PubChem (CID 113391584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).