phenyl(pyridin-3-yl)methanamine;hydrochloride

C12H13ClN2 — CID 23724449

IUPACphenyl(pyridin-3-yl)methanamine;hydrochloride
SMILESCl.NC(c1ccccc1)c1cccnc1
InChIInChI=1S/C12H12N2.ClH/c13-12(10-5-2-1-3-6-10)11-7-4-8-14-9-11;/h1-9,12H,13H2;1H
InChIKeyFDTAYTVZYBYPJH-UHFFFAOYSA-N
MW220.70 g/mol
LogP2.55
Rot. Bonds2

About phenyl(pyridin-3-yl)methanamine;hydrochloride

phenyl(pyridin-3-yl)methanamine;hydrochloride (PubChem CID 23724449) has the molecular formula C12H13ClN2 and a molecular weight of 220.70 g/mol. Its IUPAC name is phenyl(pyridin-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound Namephenyl(pyridin-3-yl)methanamine;hydrochloride
PubChem CID23724449
Molecular FormulaC12H13ClN2
Molecular Weight220.70 g/mol
Exact Mass220.08
IUPAC Namephenyl(pyridin-3-yl)methanamine;hydrochloride
SMILESCl.NC(c1ccccc1)c1cccnc1
InChIInChI=1S/C12H12N2.ClH/c13-12(10-5-2-1-3-6-10)11-7-4-8-14-9-11;/h1-9,12H,13H2;1H
InChIKeyFDTAYTVZYBYPJH-UHFFFAOYSA-N
XLogP2.55
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-(4-bromophenyl)-pyridin-3-ylmethanamine
CID 42137795
(4-ethylphenyl)-pyridin-3-ylmethanamine;dihydrochloride
CID 117071668
ethane;pyridin-3-yl(pyrimidin-5-yl)methanamine
CID 145185117
(1S,2S)-1,2-dipyridin-3-ylethane-1,2-diamine
CID 30682697
2,2-diphenyl-1-pyridin-3-ylethanamine
CID 60923262
(S)-pyridin-2-yl(pyridin-3-yl)methanamine
CID 86315357
(2,6-dichlorophenyl)-pyridin-3-ylmethanamine
CID 115799088
(1R)-1-pyridin-3-ylethanamine;hydrochloride
CID 53487230
[4-(2-methylpropyl)phenyl]-pyridin-3-ylmethanamine
CID 43198863
2-amino-2-phenyl-1-pyridin-3-ylethanol
CID 62720014
amino(pyridin-3-yl)methanethiol
CID 116939546
(5-methylfuran-3-yl)-pyridin-3-ylmethanamine
CID 115799285

Frequently Asked Questions

What is the IUPAC name of phenyl(pyridin-3-yl)methanamine;hydrochloride?
The IUPAC name of phenyl(pyridin-3-yl)methanamine;hydrochloride (CID 23724449) is phenyl(pyridin-3-yl)methanamine;hydrochloride.
What is the SMILES notation for phenyl(pyridin-3-yl)methanamine;hydrochloride?
The canonical SMILES for phenyl(pyridin-3-yl)methanamine;hydrochloride is Cl.NC(c1ccccc1)c1cccnc1.
What is the InChIKey of phenyl(pyridin-3-yl)methanamine;hydrochloride?
The InChIKey is FDTAYTVZYBYPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2.ClH/c13-12(10-5-2-1-3-6-10)11-7-4-8-14-9-11;/h1-9,12H,13H2;1H.
What are the key properties of phenyl(pyridin-3-yl)methanamine;hydrochloride?
phenyl(pyridin-3-yl)methanamine;hydrochloride has a molecular weight of 220.70 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(pyridin-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 23724449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).