1-(3-chloro-4-pyridin-3-yloxyphenyl)-N-methylethanamine

C14H15ClN2O — CID 62912252

IUPAC1-(3-chloro-4-pyridin-3-yloxyphenyl)-N-methylethanamine
SMILESCNC(C)c1ccc(Oc2cccnc2)c(Cl)c1
InChIInChI=1S/C14H15ClN2O/c1-10(16-2)11-5-6-14(13(15)8-11)18-12-4-3-7-17-9-12/h3-10,16H,1-2H3
InChIKeyLJFFWRKVIRDSIC-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.81
Rot. Bonds4

About 1-(3-chloro-4-pyridin-3-yloxyphenyl)-N-methylethanamine

1-(3-chloro-4-pyridin-3-yloxyphenyl)-N-methylethanamine (PubChem CID 62912252) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridin-3-yloxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-pyridin-3-yloxyphenyl)-N-methylethanamine
PubChem CID62912252
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name1-(3-chloro-4-pyridin-3-yloxyphenyl)-N-methylethanamine
SMILESCNC(C)c1ccc(Oc2cccnc2)c(Cl)c1
InChIInChI=1S/C14H15ClN2O/c1-10(16-2)11-5-6-14(13(15)8-11)18-12-4-3-7-17-9-12/h3-10,16H,1-2H3
InChIKeyLJFFWRKVIRDSIC-UHFFFAOYSA-N
XLogP3.81
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-chloro-4-(3-methylphenoxy)phenyl]-N-methylethanamine
CID 62912068
1-[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]-N-methylethanamine
CID 63878644
1-[3-chloro-4-(4-ethoxyphenoxy)phenyl]-N-methylethanamine
CID 62912758
N-[(3-chloro-4-pyridin-3-yloxyphenyl)methyl]-2-methylpropan-1-amine
CID 81155490
3-chloro-4-pyridin-3-yloxyaniline;dihydrochloride
CID 45075256
1-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]-N-ethylethanamine
CID 64600992
1-[3-chloro-4-(2,3,6-trimethylphenoxy)phenyl]-N-methylethanamine
CID 63533324
1-(3-chloro-4-pyridin-3-yloxyphenyl)ethanone
CID 55130531
N-methyl-1-[4-(2,4,5-trichlorophenoxy)phenyl]ethanamine
CID 43285096
3-chloro-4-pyridin-3-yloxybenzonitrile
CID 63088061
(1R)-N-methyl-1-pyridin-3-ylethanamine
CID 26248773
1-[3-chloro-4-(2,5-difluorophenoxy)phenyl]-N-methylethanamine
CID 63269825

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridin-3-yloxyphenyl)-N-methylethanamine?
The IUPAC name of 1-(3-chloro-4-pyridin-3-yloxyphenyl)-N-methylethanamine (CID 62912252) is 1-(3-chloro-4-pyridin-3-yloxyphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(3-chloro-4-pyridin-3-yloxyphenyl)-N-methylethanamine?
The canonical SMILES for 1-(3-chloro-4-pyridin-3-yloxyphenyl)-N-methylethanamine is CNC(C)c1ccc(Oc2cccnc2)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-pyridin-3-yloxyphenyl)-N-methylethanamine?
The InChIKey is LJFFWRKVIRDSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-10(16-2)11-5-6-14(13(15)8-11)18-12-4-3-7-17-9-12/h3-10,16H,1-2H3.
What are the key properties of 1-(3-chloro-4-pyridin-3-yloxyphenyl)-N-methylethanamine?
1-(3-chloro-4-pyridin-3-yloxyphenyl)-N-methylethanamine has a molecular weight of 262.74 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridin-3-yloxyphenyl)-N-methylethanamine is sourced from PubChem (CID 62912252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).