2-[3,5-dichloro-2-(oxolan-3-ylmethoxy)phenyl]ethanamine

C13H17Cl2NO2 — CID 54977002

IUPAC2-[3,5-dichloro-2-(oxolan-3-ylmethoxy)phenyl]ethanamine
SMILESNCCc1cc(Cl)cc(Cl)c1OCC1CCOC1
InChIInChI=1S/C13H17Cl2NO2/c14-11-5-10(1-3-16)13(12(15)6-11)18-8-9-2-4-17-7-9/h5-6,9H,1-4,7-8,16H2
InChIKeyPYLODNWSYQAOOQ-UHFFFAOYSA-N
MW290.19 g/mol
LogP2.91
Rot. Bonds5

About 2-[3,5-dichloro-2-(oxolan-3-ylmethoxy)phenyl]ethanamine

2-[3,5-dichloro-2-(oxolan-3-ylmethoxy)phenyl]ethanamine (PubChem CID 54977002) has the molecular formula C13H17Cl2NO2 and a molecular weight of 290.19 g/mol. Its IUPAC name is 2-[3,5-dichloro-2-(oxolan-3-ylmethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3,5-dichloro-2-(oxolan-3-ylmethoxy)phenyl]ethanamine
PubChem CID54977002
Molecular FormulaC13H17Cl2NO2
Molecular Weight290.19 g/mol
Exact Mass289.06
IUPAC Name2-[3,5-dichloro-2-(oxolan-3-ylmethoxy)phenyl]ethanamine
SMILESNCCc1cc(Cl)cc(Cl)c1OCC1CCOC1
InChIInChI=1S/C13H17Cl2NO2/c14-11-5-10(1-3-16)13(12(15)6-11)18-8-9-2-4-17-7-9/h5-6,9H,1-4,7-8,16H2
InChIKeyPYLODNWSYQAOOQ-UHFFFAOYSA-N
XLogP2.91
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3,5-dichloro-2-(cyclobutylmethoxy)phenyl]ethanamine
CID 65459079
4-[[2,4-dichloro-6-(chloromethyl)phenoxy]methyl]oxane
CID 62385711
2-[3,5-dibromo-4-(oxolan-3-ylmethoxy)phenyl]ethanamine
CID 107739535
2-[3-fluoro-2-(oxolan-3-ylmethoxy)phenyl]ethanamine
CID 112615119
2-[3,5-dichloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 79182988
[4-chloro-2-(oxolan-3-ylmethoxy)phenyl]methanamine
CID 63081811
[3,5-difluoro-4-(oxolan-3-ylmethoxy)phenyl]methanamine
CID 79886568
[5-chloro-2-(oxolan-3-ylmethoxy)-4-pyridinyl]methanamine
CID 114928548
2-[4-methoxy-2-(oxolan-3-ylmethoxy)phenyl]ethanamine
CID 54977200
2-[3,5-dichloro-2-(3-fluoropropoxy)phenyl]ethanamine
CID 81114613
[5-chloro-6-(oxolan-3-ylmethoxy)-3-pyridinyl]methanamine
CID 62322087
2-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]ethanamine
CID 60922555

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dichloro-2-(oxolan-3-ylmethoxy)phenyl]ethanamine?
The IUPAC name of 2-[3,5-dichloro-2-(oxolan-3-ylmethoxy)phenyl]ethanamine (CID 54977002) is 2-[3,5-dichloro-2-(oxolan-3-ylmethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[3,5-dichloro-2-(oxolan-3-ylmethoxy)phenyl]ethanamine?
The canonical SMILES for 2-[3,5-dichloro-2-(oxolan-3-ylmethoxy)phenyl]ethanamine is NCCc1cc(Cl)cc(Cl)c1OCC1CCOC1.
What is the InChIKey of 2-[3,5-dichloro-2-(oxolan-3-ylmethoxy)phenyl]ethanamine?
The InChIKey is PYLODNWSYQAOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO2/c14-11-5-10(1-3-16)13(12(15)6-11)18-8-9-2-4-17-7-9/h5-6,9H,1-4,7-8,16H2.
What are the key properties of 2-[3,5-dichloro-2-(oxolan-3-ylmethoxy)phenyl]ethanamine?
2-[3,5-dichloro-2-(oxolan-3-ylmethoxy)phenyl]ethanamine has a molecular weight of 290.19 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dichloro-2-(oxolan-3-ylmethoxy)phenyl]ethanamine is sourced from PubChem (CID 54977002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).