(3-chloro-6-phenoxy-2-pyridinyl)methanamine

C12H11ClN2O — CID 62296116

IUPAC(3-chloro-6-phenoxy-2-pyridinyl)methanamine
SMILESNCc1nc(Oc2ccccc2)ccc1Cl
InChIInChI=1S/C12H11ClN2O/c13-10-6-7-12(15-11(10)8-14)16-9-4-2-1-3-5-9/h1-7H,8,14H2
InChIKeyCBLLCVLTYGYSDR-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.99
Rot. Bonds3

About (3-chloro-6-phenoxy-2-pyridinyl)methanamine

(3-chloro-6-phenoxy-2-pyridinyl)methanamine (PubChem CID 62296116) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is (3-chloro-6-phenoxy-2-pyridinyl)methanamine.

Molecular Properties

Compound Name(3-chloro-6-phenoxy-2-pyridinyl)methanamine
PubChem CID62296116
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name(3-chloro-6-phenoxy-2-pyridinyl)methanamine
SMILESNCc1nc(Oc2ccccc2)ccc1Cl
InChIInChI=1S/C12H11ClN2O/c13-10-6-7-12(15-11(10)8-14)16-9-4-2-1-3-5-9/h1-7H,8,14H2
InChIKeyCBLLCVLTYGYSDR-UHFFFAOYSA-N
XLogP2.99
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-chloro-6-(3-fluorophenoxy)-2-pyridinyl]methanamine
CID 62322532
[3-chloro-6-(4-chloronaphthalen-1-yl)oxy-2-pyridinyl]methanamine
CID 62322786
[3-chloro-6-(3-chloro-4-fluorophenoxy)-2-pyridinyl]methanamine
CID 63879706
(3-chloro-6-methoxy-2-pyridinyl)methanamine;hydrochloride
CID 171363984
[6-(1,3-benzodioxol-5-yloxy)-3-chloro-2-pyridinyl]methanamine
CID 62297582
(3-chloro-6-propan-2-yloxy-2-pyridinyl)methanamine
CID 62290164
(6-phenoxypyridazin-3-yl)methanamine
CID 62296458
3-chloro-2-(chloromethyl)-6-(3,4-dichlorophenoxy)pyridine
CID 63446768
(6-but-2-enoxy-3-chloro-2-pyridinyl)methanamine
CID 76938382
(6-but-3-enoxy-3-chloro-2-pyridinyl)methanamine
CID 62289507
[6-(3,4-dichlorophenoxy)-2-pyridinyl]methanamine
CID 62322079
[6-(4-bromo-2-propan-2-ylphenoxy)-3-chloro-2-pyridinyl]methanamine
CID 115402686

Frequently Asked Questions

What is the IUPAC name of (3-chloro-6-phenoxy-2-pyridinyl)methanamine?
The IUPAC name of (3-chloro-6-phenoxy-2-pyridinyl)methanamine (CID 62296116) is (3-chloro-6-phenoxy-2-pyridinyl)methanamine.
What is the SMILES notation for (3-chloro-6-phenoxy-2-pyridinyl)methanamine?
The canonical SMILES for (3-chloro-6-phenoxy-2-pyridinyl)methanamine is NCc1nc(Oc2ccccc2)ccc1Cl.
What is the InChIKey of (3-chloro-6-phenoxy-2-pyridinyl)methanamine?
The InChIKey is CBLLCVLTYGYSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c13-10-6-7-12(15-11(10)8-14)16-9-4-2-1-3-5-9/h1-7H,8,14H2.
What are the key properties of (3-chloro-6-phenoxy-2-pyridinyl)methanamine?
(3-chloro-6-phenoxy-2-pyridinyl)methanamine has a molecular weight of 234.69 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-6-phenoxy-2-pyridinyl)methanamine is sourced from PubChem (CID 62296116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).