1-(2,3-dichlorophenyl)-N-(oxolan-2-ylmethyl)ethanamine

C13H17Cl2NO — CID 113259759

IUPAC1-(2,3-dichlorophenyl)-N-(oxolan-2-ylmethyl)ethanamine
SMILESCC(NCC1CCCO1)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H17Cl2NO/c1-9(16-8-10-4-3-7-17-10)11-5-2-6-12(14)13(11)15/h2,5-6,9-10,16H,3-4,7-8H2,1H3
InChIKeyZGGUWIGGUDYCEC-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.82
Rot. Bonds4

About 1-(2,3-dichlorophenyl)-N-(oxolan-2-ylmethyl)ethanamine

1-(2,3-dichlorophenyl)-N-(oxolan-2-ylmethyl)ethanamine (PubChem CID 113259759) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-(oxolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-(oxolan-2-ylmethyl)ethanamine
PubChem CID113259759
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name1-(2,3-dichlorophenyl)-N-(oxolan-2-ylmethyl)ethanamine
SMILESCC(NCC1CCCO1)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H17Cl2NO/c1-9(16-8-10-4-3-7-17-10)11-5-2-6-12(14)13(11)15/h2,5-6,9-10,16H,3-4,7-8H2,1H3
InChIKeyZGGUWIGGUDYCEC-UHFFFAOYSA-N
XLogP3.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 81378620
1-(2-bromophenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 43179194
1-(2-methylphenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 54940082
1-(2,3-difluorophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 103915785
(1R)-1-(2-chlorophenyl)-N-(1,3-dioxan-4-ylmethyl)ethanamine
CID 81376970
1-(5-chloro-2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 75382385
(1R)-1-(3-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 81372258
1-(2,3-dichlorophenyl)-N-methyl-2-(oxan-2-yl)ethanamine
CID 113391584
2-(2,3-dichlorophenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 55093100
(1R)-N-(oxolan-2-ylmethyl)-1-thiophen-2-ylethanamine
CID 81408382
N-[(2,3-dichlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 7458212
(2S)-2-(2,3-dichlorophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 42561363

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-N-(oxolan-2-ylmethyl)ethanamine?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-(oxolan-2-ylmethyl)ethanamine (CID 113259759) is 1-(2,3-dichlorophenyl)-N-(oxolan-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-(oxolan-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-(oxolan-2-ylmethyl)ethanamine is CC(NCC1CCCO1)c1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-(oxolan-2-ylmethyl)ethanamine?
The InChIKey is ZGGUWIGGUDYCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c1-9(16-8-10-4-3-7-17-10)11-5-2-6-12(14)13(11)15/h2,5-6,9-10,16H,3-4,7-8H2,1H3.
What are the key properties of 1-(2,3-dichlorophenyl)-N-(oxolan-2-ylmethyl)ethanamine?
1-(2,3-dichlorophenyl)-N-(oxolan-2-ylmethyl)ethanamine has a molecular weight of 274.19 g/mol, XLogP of 3.82, 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-(oxolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 113259759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).