(3-chloro-4-methylphenyl)-pyrazin-2-ylmethanamine

C12H12ClN3 — CID 115860386

IUPAC(3-chloro-4-methylphenyl)-pyrazin-2-ylmethanamine
SMILESCc1ccc(C(N)c2cnccn2)cc1Cl
InChIInChI=1S/C12H12ClN3/c1-8-2-3-9(6-10(8)13)12(14)11-7-15-4-5-16-11/h2-7,12H,14H2,1H3
InChIKeyNDFYKVDPSQVBHY-UHFFFAOYSA-N
MW233.70 g/mol
LogP2.49
Rot. Bonds2

About (3-chloro-4-methylphenyl)-pyrazin-2-ylmethanamine

(3-chloro-4-methylphenyl)-pyrazin-2-ylmethanamine (PubChem CID 115860386) has the molecular formula C12H12ClN3 and a molecular weight of 233.70 g/mol. Its IUPAC name is (3-chloro-4-methylphenyl)-pyrazin-2-ylmethanamine.

Molecular Properties

Compound Name(3-chloro-4-methylphenyl)-pyrazin-2-ylmethanamine
PubChem CID115860386
Molecular FormulaC12H12ClN3
Molecular Weight233.70 g/mol
Exact Mass233.07
IUPAC Name(3-chloro-4-methylphenyl)-pyrazin-2-ylmethanamine
SMILESCc1ccc(C(N)c2cnccn2)cc1Cl
InChIInChI=1S/C12H12ClN3/c1-8-2-3-9(6-10(8)13)12(14)11-7-15-4-5-16-11/h2-7,12H,14H2,1H3
InChIKeyNDFYKVDPSQVBHY-UHFFFAOYSA-N
XLogP2.49
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-4-methylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 107561604
(3-chloro-4-methylphenyl)-(3,5-dichloro-2-pyridinyl)methanamine
CID 107560529
(4-methylsulfanylphenyl)-pyrazin-2-ylmethanamine
CID 115860586
(5-bromo-2-methylphenyl)-pyrazin-2-ylmethanamine
CID 115860646
(3-chloro-4-methylphenyl)-(1,3-thiazol-2-yl)methanamine
CID 106818042
(3-chloro-4-methylphenyl)-isoquinolin-8-ylmethanamine
CID 103137069
(3-chloro-4-methylphenyl)-(1-methylimidazol-2-yl)methanamine
CID 63195529
(3-chloro-4-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 63523104
(4-propylphenyl)-pyrazin-2-ylmethanamine
CID 62801095
1-(4-chloro-3-methylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 115860556
(4-bromo-2-chlorophenyl)-pyrazin-2-ylmethanamine
CID 115860428
[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-pyrazin-2-ylmethanamine
CID 68523327

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylphenyl)-pyrazin-2-ylmethanamine?
The IUPAC name of (3-chloro-4-methylphenyl)-pyrazin-2-ylmethanamine (CID 115860386) is (3-chloro-4-methylphenyl)-pyrazin-2-ylmethanamine.
What is the SMILES notation for (3-chloro-4-methylphenyl)-pyrazin-2-ylmethanamine?
The canonical SMILES for (3-chloro-4-methylphenyl)-pyrazin-2-ylmethanamine is Cc1ccc(C(N)c2cnccn2)cc1Cl.
What is the InChIKey of (3-chloro-4-methylphenyl)-pyrazin-2-ylmethanamine?
The InChIKey is NDFYKVDPSQVBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3/c1-8-2-3-9(6-10(8)13)12(14)11-7-15-4-5-16-11/h2-7,12H,14H2,1H3.
What are the key properties of (3-chloro-4-methylphenyl)-pyrazin-2-ylmethanamine?
(3-chloro-4-methylphenyl)-pyrazin-2-ylmethanamine has a molecular weight of 233.70 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylphenyl)-pyrazin-2-ylmethanamine is sourced from PubChem (CID 115860386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).