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

C15H19N3 — CID 60819603

IUPACN-[(3-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1cccc(C)c1)c1cnccn1
InChIInChI=1S/C15H19N3/c1-3-7-18-15(14-11-16-8-9-17-14)13-6-4-5-12(2)10-13/h4-6,8-11,15,18H,3,7H2,1-2H3
InChIKeyDEPBNFJVIKHIPY-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.87
Rot. Bonds5

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

N-[(3-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine (PubChem CID 60819603) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N-[(3-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
PubChem CID60819603
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN-[(3-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1cccc(C)c1)c1cnccn1
InChIInChI=1S/C15H19N3/c1-3-7-18-15(14-11-16-8-9-17-14)13-6-4-5-12(2)10-13/h4-6,8-11,15,18H,3,7H2,1-2H3
InChIKeyDEPBNFJVIKHIPY-UHFFFAOYSA-N
XLogP2.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromo-4-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 115860589
N-[(3-cyclobutylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 114602740
N-[(2-chloro-4-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 106857672
N-[(6-methyl-2-pyridinyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 63970482
N-[(4-ethylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 62542571
N-[(3,5-dichlorophenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 115860582
N-[(4-methoxyphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 60819950
N-[(3-chlorophenyl)-(4-methyl-2-pyridinyl)methyl]propan-1-amine
CID 63840842
N-[(3-chloro-2-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 107102363
3-(3-methylphenoxy)-N-propyl-1-pyrazin-2-ylpropan-1-amine
CID 105150138
N-[(2,3-difluorophenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 63990262
N-[(3-methylphenyl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine
CID 65360196

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine?
The IUPAC name of N-[(3-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine (CID 60819603) is N-[(3-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(3-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(3-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine is CCCNC(c1cccc(C)c1)c1cnccn1.
What is the InChIKey of N-[(3-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine?
The InChIKey is DEPBNFJVIKHIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-3-7-18-15(14-11-16-8-9-17-14)13-6-4-5-12(2)10-13/h4-6,8-11,15,18H,3,7H2,1-2H3.
What are the key properties of N-[(3-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine?
N-[(3-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine has a molecular weight of 241.34 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine is sourced from PubChem (CID 60819603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).