(3-chloropyrazin-2-yl)-(4-phenoxyphenyl)methanamine;hydrochloride

C17H15Cl2N3O — CID 121458102

IUPAC(3-chloropyrazin-2-yl)-(4-phenoxyphenyl)methanamine;hydrochloride
SMILESCl.NC(c1ccc(Oc2ccccc2)cc1)c1nccnc1Cl
InChIInChI=1S/C17H14ClN3O.ClH/c18-17-16(20-10-11-21-17)15(19)12-6-8-14(9-7-12)22-13-4-2-1-3-5-13;/h1-11,15H,19H2;1H
InChIKeyIRGGZTPKEFWNTA-UHFFFAOYSA-N
MW348.23 g/mol
LogP4.39
Rot. Bonds4

About (3-chloropyrazin-2-yl)-(4-phenoxyphenyl)methanamine;hydrochloride

(3-chloropyrazin-2-yl)-(4-phenoxyphenyl)methanamine;hydrochloride (PubChem CID 121458102) has the molecular formula C17H15Cl2N3O and a molecular weight of 348.23 g/mol. Its IUPAC name is (3-chloropyrazin-2-yl)-(4-phenoxyphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(3-chloropyrazin-2-yl)-(4-phenoxyphenyl)methanamine;hydrochloride
PubChem CID121458102
Molecular FormulaC17H15Cl2N3O
Molecular Weight348.23 g/mol
Exact Mass347.06
IUPAC Name(3-chloropyrazin-2-yl)-(4-phenoxyphenyl)methanamine;hydrochloride
SMILESCl.NC(c1ccc(Oc2ccccc2)cc1)c1nccnc1Cl
InChIInChI=1S/C17H14ClN3O.ClH/c18-17-16(20-10-11-21-17)15(19)12-6-8-14(9-7-12)22-13-4-2-1-3-5-13;/h1-11,15H,19H2;1H
InChIKeyIRGGZTPKEFWNTA-UHFFFAOYSA-N
XLogP4.39
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-chloropyrazin-2-yl)-(4-phenoxyphenyl)methyl]isoindole-1,3-dione
CID 86636027
(3-chloropyrazin-2-yl)-[4-[(4-methoxyphenyl)methoxy]-3-phenylmethoxyphenyl]methanamine
CID 59852802
(R)-(4-phenoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171228385
(2-chloroquinazolin-4-yl)-(4-methoxyphenyl)methanamine;hydrochloride
CID 87276665
1-(1-chloroethyl)-4-phenoxybenzene
CID 18342950
(3S)-3-amino-2,2-dimethyl-3-(4-phenoxyphenyl)propan-1-ol;hydrochloride
CID 171249308
2-amino-2-(4-phenoxyphenyl)ethanethiol
CID 116830487
(1S)-2-amino-1-(4-phenoxyphenyl)ethanol
CID 39247565
(1R,2S)-1-amino-3-methyl-1-(4-phenoxyphenyl)butan-2-ol;hydrochloride
CID 171263705
(3-fluoro-2-pyridinyl)-(4-methoxyphenyl)methanamine
CID 78018909
1-(2,2-dichloro-1-phenylethyl)-4-phenoxybenzene
CID 151834044
1-(4-phenoxyphenyl)ethanol;hydrochloride
CID 67663526

Frequently Asked Questions

What is the IUPAC name of (3-chloropyrazin-2-yl)-(4-phenoxyphenyl)methanamine;hydrochloride?
The IUPAC name of (3-chloropyrazin-2-yl)-(4-phenoxyphenyl)methanamine;hydrochloride (CID 121458102) is (3-chloropyrazin-2-yl)-(4-phenoxyphenyl)methanamine;hydrochloride.
What is the SMILES notation for (3-chloropyrazin-2-yl)-(4-phenoxyphenyl)methanamine;hydrochloride?
The canonical SMILES for (3-chloropyrazin-2-yl)-(4-phenoxyphenyl)methanamine;hydrochloride is Cl.NC(c1ccc(Oc2ccccc2)cc1)c1nccnc1Cl.
What is the InChIKey of (3-chloropyrazin-2-yl)-(4-phenoxyphenyl)methanamine;hydrochloride?
The InChIKey is IRGGZTPKEFWNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O.ClH/c18-17-16(20-10-11-21-17)15(19)12-6-8-14(9-7-12)22-13-4-2-1-3-5-13;/h1-11,15H,19H2;1H.
What are the key properties of (3-chloropyrazin-2-yl)-(4-phenoxyphenyl)methanamine;hydrochloride?
(3-chloropyrazin-2-yl)-(4-phenoxyphenyl)methanamine;hydrochloride has a molecular weight of 348.23 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloropyrazin-2-yl)-(4-phenoxyphenyl)methanamine;hydrochloride is sourced from PubChem (CID 121458102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).