[2-chloro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]methanamine

C13H13ClN2O — CID 102724784

IUPAC[2-chloro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]methanamine
SMILESCc1cccnc1Oc1ccc(CN)c(Cl)c1
InChIInChI=1S/C13H13ClN2O/c1-9-3-2-6-16-13(9)17-11-5-4-10(8-15)12(14)7-11/h2-7H,8,15H2,1H3
InChIKeyMMCRYUSOIGVRLL-UHFFFAOYSA-N
MW248.71 g/mol
LogP3.29
Rot. Bonds3

About [2-chloro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]methanamine

[2-chloro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]methanamine (PubChem CID 102724784) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is [2-chloro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]methanamine.

Molecular Properties

Compound Name[2-chloro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]methanamine
PubChem CID102724784
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name[2-chloro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]methanamine
SMILESCc1cccnc1Oc1ccc(CN)c(Cl)c1
InChIInChI=1S/C13H13ClN2O/c1-9-3-2-6-16-13(9)17-11-5-4-10(8-15)12(14)7-11/h2-7H,8,15H2,1H3
InChIKeyMMCRYUSOIGVRLL-UHFFFAOYSA-N
XLogP3.29
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-chloro-4-(2-fluoro-3-methylphenoxy)phenyl]methanamine
CID 107655131
[3-chloro-2-(3,4-dimethylphenoxy)-4-pyridinyl]methanamine
CID 107055950
[2-chloro-4-[(6-methyl-2-pyridinyl)oxy]phenyl]methanamine
CID 102724765
3-[4-(aminomethyl)-3-chlorophenoxy]-1-propylpyrazin-2-one
CID 102724747
2-(4-bromo-3-methylphenoxy)-3-methylpyridine
CID 83139867
[4-chloro-2-[(3-chloro-2-pyridinyl)oxy]phenyl]methanamine
CID 114323941
(2-chloro-4-methoxyphenyl)methanamine
CID 22467642
2-(6-bromonaphthalen-2-yl)oxy-3-methylpyridine
CID 63530476
[2-chloro-4-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yloxy)phenyl]methanamine
CID 102724735
[4-[(5-tert-butyl-2-pyridinyl)oxy]-2-chlorophenyl]methanamine
CID 107875401
(2-chloro-4-quinolin-3-yloxyphenyl)methanamine
CID 107386840
N-[2-[4-(aminomethyl)-3-chlorophenoxy]phenyl]acetamide
CID 62946547

Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]methanamine?
The IUPAC name of [2-chloro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]methanamine (CID 102724784) is [2-chloro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]methanamine.
What is the SMILES notation for [2-chloro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]methanamine?
The canonical SMILES for [2-chloro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]methanamine is Cc1cccnc1Oc1ccc(CN)c(Cl)c1.
What is the InChIKey of [2-chloro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]methanamine?
The InChIKey is MMCRYUSOIGVRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c1-9-3-2-6-16-13(9)17-11-5-4-10(8-15)12(14)7-11/h2-7H,8,15H2,1H3.
What are the key properties of [2-chloro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]methanamine?
[2-chloro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]methanamine has a molecular weight of 248.71 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]methanamine is sourced from PubChem (CID 102724784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).