1-[4-(4-chlorophenoxy)-3-pyridinyl]-N-methylmethanamine

C13H13ClN2O — CID 81250713

IUPAC1-[4-(4-chlorophenoxy)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cnccc1Oc1ccc(Cl)cc1
InChIInChI=1S/C13H13ClN2O/c1-15-8-10-9-16-7-6-13(10)17-12-4-2-11(14)3-5-12/h2-7,9,15H,8H2,1H3
InChIKeyIREAUGOSKBNQEP-UHFFFAOYSA-N
MW248.71 g/mol
LogP3.25
Rot. Bonds4

About 1-[4-(4-chlorophenoxy)-3-pyridinyl]-N-methylmethanamine

1-[4-(4-chlorophenoxy)-3-pyridinyl]-N-methylmethanamine (PubChem CID 81250713) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 1-[4-(4-chlorophenoxy)-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(4-chlorophenoxy)-3-pyridinyl]-N-methylmethanamine
PubChem CID81250713
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name1-[4-(4-chlorophenoxy)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cnccc1Oc1ccc(Cl)cc1
InChIInChI=1S/C13H13ClN2O/c1-15-8-10-9-16-7-6-13(10)17-12-4-2-11(14)3-5-12/h2-7,9,15H,8H2,1H3
InChIKeyIREAUGOSKBNQEP-UHFFFAOYSA-N
XLogP3.25
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-fluoro-4-methylphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 107170649
1-[4-[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]-N-methylmethanamine
CID 102747370
1-[5-chloro-2-(4-chlorophenoxy)phenyl]-N-methylmethanamine;hydrochloride
CID 126796195
1-[4-(2-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 81250426
N-methyl-1-[4-(3-methyl-4-propan-2-ylphenoxy)-3-pyridinyl]methanamine
CID 81250777
1-[3-(4-ethoxyphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 105075216
1-[5-chloro-2-(4-methoxyphenoxy)phenyl]-N-methylmethanamine
CID 114855838
N-methyl-1-(4-propoxy-3-pyridinyl)methanamine
CID 81255157
N-methyl-1-[3-[4-(trifluoromethoxy)phenoxy]-4-pyridinyl]methanamine
CID 105075970
N-[[4-[(5-chloro-3-pyridinyl)oxy]-3-pyridinyl]methyl]propan-1-amine
CID 81250184
N-[[4-(3-chlorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81251291
N-[[4-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 81250523

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenoxy)-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(4-chlorophenoxy)-3-pyridinyl]-N-methylmethanamine (CID 81250713) is 1-[4-(4-chlorophenoxy)-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(4-chlorophenoxy)-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(4-chlorophenoxy)-3-pyridinyl]-N-methylmethanamine is CNCc1cnccc1Oc1ccc(Cl)cc1.
What is the InChIKey of 1-[4-(4-chlorophenoxy)-3-pyridinyl]-N-methylmethanamine?
The InChIKey is IREAUGOSKBNQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c1-15-8-10-9-16-7-6-13(10)17-12-4-2-11(14)3-5-12/h2-7,9,15H,8H2,1H3.
What are the key properties of 1-[4-(4-chlorophenoxy)-3-pyridinyl]-N-methylmethanamine?
1-[4-(4-chlorophenoxy)-3-pyridinyl]-N-methylmethanamine has a molecular weight of 248.71 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenoxy)-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 81250713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).