(2-phenoxy-4-pyridinyl)methanamine;hydrochloride

C12H13ClN2O — CID 122163387

IUPAC(2-phenoxy-4-pyridinyl)methanamine;hydrochloride
SMILESCl.NCc1ccnc(Oc2ccccc2)c1
InChIInChI=1S/C12H12N2O.ClH/c13-9-10-6-7-14-12(8-10)15-11-4-2-1-3-5-11;/h1-8H,9,13H2;1H
InChIKeyDFPKSHHLTWTWBL-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.75
Rot. Bonds3

About (2-phenoxy-4-pyridinyl)methanamine;hydrochloride

(2-phenoxy-4-pyridinyl)methanamine;hydrochloride (PubChem CID 122163387) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is (2-phenoxy-4-pyridinyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(2-phenoxy-4-pyridinyl)methanamine;hydrochloride
PubChem CID122163387
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name(2-phenoxy-4-pyridinyl)methanamine;hydrochloride
SMILESCl.NCc1ccnc(Oc2ccccc2)c1
InChIInChI=1S/C12H12N2O.ClH/c13-9-10-6-7-14-12(8-10)15-11-4-2-1-3-5-11;/h1-8H,9,13H2;1H
InChIKeyDFPKSHHLTWTWBL-UHFFFAOYSA-N
XLogP2.75
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-phenoxy-4-pyridinyl)methanamine;hydrochloride?
The IUPAC name of (2-phenoxy-4-pyridinyl)methanamine;hydrochloride (CID 122163387) is (2-phenoxy-4-pyridinyl)methanamine;hydrochloride.
What is the SMILES notation for (2-phenoxy-4-pyridinyl)methanamine;hydrochloride?
The canonical SMILES for (2-phenoxy-4-pyridinyl)methanamine;hydrochloride is Cl.NCc1ccnc(Oc2ccccc2)c1.
What is the InChIKey of (2-phenoxy-4-pyridinyl)methanamine;hydrochloride?
The InChIKey is DFPKSHHLTWTWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O.ClH/c13-9-10-6-7-14-12(8-10)15-11-4-2-1-3-5-11;/h1-8H,9,13H2;1H.
What are the key properties of (2-phenoxy-4-pyridinyl)methanamine;hydrochloride?
(2-phenoxy-4-pyridinyl)methanamine;hydrochloride has a molecular weight of 236.70 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenoxy-4-pyridinyl)methanamine;hydrochloride is sourced from PubChem (CID 122163387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).