N-[(3-bromo-4-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine

C15H18BrN3 — CID 115860589

IUPACN-[(3-bromo-4-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccc(C)c(Br)c1)c1cnccn1
InChIInChI=1S/C15H18BrN3/c1-3-6-19-15(14-10-17-7-8-18-14)12-5-4-11(2)13(16)9-12/h4-5,7-10,15,19H,3,6H2,1-2H3
InChIKeyDDSJBOONSQQQEM-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.64
Rot. Bonds5

About N-[(3-bromo-4-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine

N-[(3-bromo-4-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine (PubChem CID 115860589) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is N-[(3-bromo-4-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-bromo-4-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
PubChem CID115860589
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC NameN-[(3-bromo-4-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccc(C)c(Br)c1)c1cnccn1
InChIInChI=1S/C15H18BrN3/c1-3-6-19-15(14-10-17-7-8-18-14)12-5-4-11(2)13(16)9-12/h4-5,7-10,15,19H,3,6H2,1-2H3
InChIKeyDDSJBOONSQQQEM-UHFFFAOYSA-N
XLogP3.64
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3-bromo-4-methylphenyl)-pyrazin-2-ylmethyl]hydrazine
CID 105308636
N-[(3-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 60819603
N-[(4-ethylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 62542571
N-[(4-methoxyphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 60819950
N-[(3,5-dichlorophenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 115860582
N-[(3-bromo-2-pyridinyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 113398557
N-[(3-bromo-4-methylphenyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 103135450
N-[(3-bromo-4-methylphenyl)-(3,4-dichlorophenyl)methyl]propan-1-amine
CID 81457977
N-[(5-bromo-2-pyridinyl)-(3,4-dimethylphenyl)methyl]propan-1-amine
CID 115606122
N-[(3-bromo-4-methylphenyl)-(5-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 105026163
N-[(4-bromo-2-chlorophenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 115860282
N-[(6-methyl-2-pyridinyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 63970482

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine?
The IUPAC name of N-[(3-bromo-4-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine (CID 115860589) is N-[(3-bromo-4-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(3-bromo-4-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(3-bromo-4-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine is CCCNC(c1ccc(C)c(Br)c1)c1cnccn1.
What is the InChIKey of N-[(3-bromo-4-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine?
The InChIKey is DDSJBOONSQQQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-3-6-19-15(14-10-17-7-8-18-14)12-5-4-11(2)13(16)9-12/h4-5,7-10,15,19H,3,6H2,1-2H3.
What are the key properties of N-[(3-bromo-4-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine?
N-[(3-bromo-4-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine has a molecular weight of 320.23 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine is sourced from PubChem (CID 115860589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).