[3,5-dichloro-2-(2-pyridin-3-ylethoxy)phenyl]methanamine

C14H14Cl2N2O — CID 63264977

IUPAC[3,5-dichloro-2-(2-pyridin-3-ylethoxy)phenyl]methanamine
SMILESNCc1cc(Cl)cc(Cl)c1OCCc1cccnc1
InChIInChI=1S/C14H14Cl2N2O/c15-12-6-11(8-17)14(13(16)7-12)19-5-3-10-2-1-4-18-9-10/h1-2,4,6-7,9H,3,5,8,17H2
InChIKeyWOZHRDJNYLIACY-UHFFFAOYSA-N
MW297.19 g/mol
LogP3.47
Rot. Bonds5

About [3,5-dichloro-2-(2-pyridin-3-ylethoxy)phenyl]methanamine

[3,5-dichloro-2-(2-pyridin-3-ylethoxy)phenyl]methanamine (PubChem CID 63264977) has the molecular formula C14H14Cl2N2O and a molecular weight of 297.19 g/mol. Its IUPAC name is [3,5-dichloro-2-(2-pyridin-3-ylethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3,5-dichloro-2-(2-pyridin-3-ylethoxy)phenyl]methanamine
PubChem CID63264977
Molecular FormulaC14H14Cl2N2O
Molecular Weight297.19 g/mol
Exact Mass296.05
IUPAC Name[3,5-dichloro-2-(2-pyridin-3-ylethoxy)phenyl]methanamine
SMILESNCc1cc(Cl)cc(Cl)c1OCCc1cccnc1
InChIInChI=1S/C14H14Cl2N2O/c15-12-6-11(8-17)14(13(16)7-12)19-5-3-10-2-1-4-18-9-10/h1-2,4,6-7,9H,3,5,8,17H2
InChIKeyWOZHRDJNYLIACY-UHFFFAOYSA-N
XLogP3.47
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dichloro-2-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
CID 7228189
[3,5-dimethoxy-4-(2-pyridin-3-ylethoxy)phenyl]methanamine
CID 63265023
1-(bromomethyl)-3,5-dichloro-2-(2-phenylethoxy)benzene
CID 43516371
4-chloro-2-(2-pyridin-3-ylethoxy)aniline
CID 63264708
N-[[3,5-dichloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine
CID 43515745
[2-[2-(3-bromophenoxy)ethoxy]-3,5-dichlorophenyl]methanamine
CID 63499735
2-[3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethanamine
CID 112614730
2-[5-bromo-3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethanamine
CID 115962668
2-chloro-3-(2-pyridin-3-ylethoxy)pyridine
CID 65102137
2-[2-[2-(bromomethyl)-4,6-dichlorophenoxy]ethyl]pyridine
CID 60891469
N-[[3,5-dichloro-2-(2-pyridin-4-ylethoxy)phenyl]methyl]ethanamine
CID 60893022
4-[2-(aminomethyl)-4,6-dichlorophenoxy]butanenitrile
CID 60888481

Frequently Asked Questions

What is the IUPAC name of [3,5-dichloro-2-(2-pyridin-3-ylethoxy)phenyl]methanamine?
The IUPAC name of [3,5-dichloro-2-(2-pyridin-3-ylethoxy)phenyl]methanamine (CID 63264977) is [3,5-dichloro-2-(2-pyridin-3-ylethoxy)phenyl]methanamine.
What is the SMILES notation for [3,5-dichloro-2-(2-pyridin-3-ylethoxy)phenyl]methanamine?
The canonical SMILES for [3,5-dichloro-2-(2-pyridin-3-ylethoxy)phenyl]methanamine is NCc1cc(Cl)cc(Cl)c1OCCc1cccnc1.
What is the InChIKey of [3,5-dichloro-2-(2-pyridin-3-ylethoxy)phenyl]methanamine?
The InChIKey is WOZHRDJNYLIACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O/c15-12-6-11(8-17)14(13(16)7-12)19-5-3-10-2-1-4-18-9-10/h1-2,4,6-7,9H,3,5,8,17H2.
What are the key properties of [3,5-dichloro-2-(2-pyridin-3-ylethoxy)phenyl]methanamine?
[3,5-dichloro-2-(2-pyridin-3-ylethoxy)phenyl]methanamine has a molecular weight of 297.19 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dichloro-2-(2-pyridin-3-ylethoxy)phenyl]methanamine is sourced from PubChem (CID 63264977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).