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

C14H15BrClN3 — CID 115860282

IUPACN-[(4-bromo-2-chlorophenyl)-pyrazin-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1cnccn1)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H15BrClN3/c1-2-5-19-14(13-9-17-6-7-18-13)11-4-3-10(15)8-12(11)16/h3-4,6-9,14,19H,2,5H2,1H3
InChIKeyVOMULLDUQIGXJM-UHFFFAOYSA-N
MW340.65 g/mol
LogP3.98
Rot. Bonds5

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

N-[(4-bromo-2-chlorophenyl)-pyrazin-2-ylmethyl]propan-1-amine (PubChem CID 115860282) has the molecular formula C14H15BrClN3 and a molecular weight of 340.65 g/mol. Its IUPAC name is N-[(4-bromo-2-chlorophenyl)-pyrazin-2-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-bromo-2-chlorophenyl)-pyrazin-2-ylmethyl]propan-1-amine
PubChem CID115860282
Molecular FormulaC14H15BrClN3
Molecular Weight340.65 g/mol
Exact Mass339.01
IUPAC NameN-[(4-bromo-2-chlorophenyl)-pyrazin-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1cnccn1)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H15BrClN3/c1-2-5-19-14(13-9-17-6-7-18-13)11-4-3-10(15)8-12(11)16/h3-4,6-9,14,19H,2,5H2,1H3
InChIKeyVOMULLDUQIGXJM-UHFFFAOYSA-N
XLogP3.98
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.65
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromo-2-chlorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 115860283
N-[(2-chloro-4-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 106857672
N-[(3-chloro-2-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 107102363
N-[(4-bromo-2-methoxyphenyl)-pyrazin-2-ylmethyl]ethanamine
CID 115860499
N-[(3,5-dichlorophenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 115860582
(4-bromo-2-chlorophenyl)-pyrazin-2-ylmethanamine
CID 115860428
N-[(2-bromo-4-chlorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 107993288
N-[(3-bromo-4-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 115860589
N-[(4-bromo-2-chlorophenyl)-(2-chloro-5-fluorophenyl)methyl]propan-1-amine
CID 105397412
N-[(4-ethylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 62542571
N-[(3-bromo-2-pyridinyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 113398557
N-[(3-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 60819603

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-chlorophenyl)-pyrazin-2-ylmethyl]propan-1-amine?
The IUPAC name of N-[(4-bromo-2-chlorophenyl)-pyrazin-2-ylmethyl]propan-1-amine (CID 115860282) is N-[(4-bromo-2-chlorophenyl)-pyrazin-2-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(4-bromo-2-chlorophenyl)-pyrazin-2-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(4-bromo-2-chlorophenyl)-pyrazin-2-ylmethyl]propan-1-amine is CCCNC(c1cnccn1)c1ccc(Br)cc1Cl.
What is the InChIKey of N-[(4-bromo-2-chlorophenyl)-pyrazin-2-ylmethyl]propan-1-amine?
The InChIKey is VOMULLDUQIGXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClN3/c1-2-5-19-14(13-9-17-6-7-18-13)11-4-3-10(15)8-12(11)16/h3-4,6-9,14,19H,2,5H2,1H3.
What are the key properties of N-[(4-bromo-2-chlorophenyl)-pyrazin-2-ylmethyl]propan-1-amine?
N-[(4-bromo-2-chlorophenyl)-pyrazin-2-ylmethyl]propan-1-amine has a molecular weight of 340.65 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-chlorophenyl)-pyrazin-2-ylmethyl]propan-1-amine is sourced from PubChem (CID 115860282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).