N-[(3,5-dichlorophenyl)-pyrazin-2-ylmethyl]propan-1-amine

C14H15Cl2N3 — CID 115860582

IUPACN-[(3,5-dichlorophenyl)-pyrazin-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1cc(Cl)cc(Cl)c1)c1cnccn1
InChIInChI=1S/C14H15Cl2N3/c1-2-3-19-14(13-9-17-4-5-18-13)10-6-11(15)8-12(16)7-10/h4-9,14,19H,2-3H2,1H3
InChIKeyFYFJLNXBCJTJLR-UHFFFAOYSA-N
MW296.20 g/mol
LogP3.87
Rot. Bonds5

About N-[(3,5-dichlorophenyl)-pyrazin-2-ylmethyl]propan-1-amine

N-[(3,5-dichlorophenyl)-pyrazin-2-ylmethyl]propan-1-amine (PubChem CID 115860582) has the molecular formula C14H15Cl2N3 and a molecular weight of 296.20 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)-pyrazin-2-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)-pyrazin-2-ylmethyl]propan-1-amine
PubChem CID115860582
Molecular FormulaC14H15Cl2N3
Molecular Weight296.20 g/mol
Exact Mass295.06
IUPAC NameN-[(3,5-dichlorophenyl)-pyrazin-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1cc(Cl)cc(Cl)c1)c1cnccn1
InChIInChI=1S/C14H15Cl2N3/c1-2-3-19-14(13-9-17-4-5-18-13)10-6-11(15)8-12(16)7-10/h4-9,14,19H,2-3H2,1H3
InChIKeyFYFJLNXBCJTJLR-UHFFFAOYSA-N
XLogP3.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dichlorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 115860583
N-[(4-ethylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 62542571
N-[(3-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 60819603
N-[(4-methoxyphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 60819950
N-[(3-bromo-4-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 115860589
N-[(2-chloro-4-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 106857672
N-[(4-bromo-2-chlorophenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 115860282
N-[(3-chloro-2-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 107102363
N-[(3,5-dichlorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61332586
N-[(3,4-dichlorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 62537896
N-[(3-cyclobutylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 114602740
N-[pyrazin-2-yl(thiadiazol-5-yl)methyl]propan-1-amine
CID 105150036

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)-pyrazin-2-ylmethyl]propan-1-amine?
The IUPAC name of N-[(3,5-dichlorophenyl)-pyrazin-2-ylmethyl]propan-1-amine (CID 115860582) is N-[(3,5-dichlorophenyl)-pyrazin-2-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(3,5-dichlorophenyl)-pyrazin-2-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(3,5-dichlorophenyl)-pyrazin-2-ylmethyl]propan-1-amine is CCCNC(c1cc(Cl)cc(Cl)c1)c1cnccn1.
What is the InChIKey of N-[(3,5-dichlorophenyl)-pyrazin-2-ylmethyl]propan-1-amine?
The InChIKey is FYFJLNXBCJTJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3/c1-2-3-19-14(13-9-17-4-5-18-13)10-6-11(15)8-12(16)7-10/h4-9,14,19H,2-3H2,1H3.
What are the key properties of N-[(3,5-dichlorophenyl)-pyrazin-2-ylmethyl]propan-1-amine?
N-[(3,5-dichlorophenyl)-pyrazin-2-ylmethyl]propan-1-amine has a molecular weight of 296.20 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)-pyrazin-2-ylmethyl]propan-1-amine is sourced from PubChem (CID 115860582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).