N-[(3-chloro-5-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine

C16H20ClN3O — CID 105031892

IUPACN-[(3-chloro-5-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)cc(Cl)c1)c1nccnc1OC
InChIInChI=1S/C16H20ClN3O/c1-4-5-18-14(12-8-11(2)9-13(17)10-12)15-16(21-3)20-7-6-19-15/h6-10,14,18H,4-5H2,1-3H3
InChIKeyDBOBBHQYAWLTHY-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.54
Rot. Bonds6

About N-[(3-chloro-5-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine

N-[(3-chloro-5-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine (PubChem CID 105031892) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is N-[(3-chloro-5-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-chloro-5-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
PubChem CID105031892
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC NameN-[(3-chloro-5-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)cc(Cl)c1)c1nccnc1OC
InChIInChI=1S/C16H20ClN3O/c1-4-5-18-14(12-8-11(2)9-13(17)10-12)15-16(21-3)20-7-6-19-15/h6-10,14,18H,4-5H2,1-3H3
InChIKeyDBOBBHQYAWLTHY-UHFFFAOYSA-N
XLogP3.54
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-5-methylphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 105032260
N-[(3,4-dimethylphenyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 105032115
N-[(3-methoxypyrazin-2-yl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 102923780
N-[(3-chloro-5-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 115792668
N-[(2-chloro-3-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 105032207
N-[(3-chloro-5-methylphenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 105016393
N-[(4,5-dimethylthiophen-2-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 105031771
N-[(3-methoxypyrazin-2-yl)-(3-methylphenyl)methyl]ethanamine
CID 104515368
N-[(1,5-dimethylpyrazol-4-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 105178595
N-[(3-methoxypyrazin-2-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 105031971
N-[(4-bromo-2-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 105031988
N-[(3-chloro-5-methylphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 115858459

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-5-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-chloro-5-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine (CID 105031892) is N-[(3-chloro-5-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-chloro-5-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-chloro-5-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine is CCCNC(c1cc(C)cc(Cl)c1)c1nccnc1OC.
What is the InChIKey of N-[(3-chloro-5-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine?
The InChIKey is DBOBBHQYAWLTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-4-5-18-14(12-8-11(2)9-13(17)10-12)15-16(21-3)20-7-6-19-15/h6-10,14,18H,4-5H2,1-3H3.
What are the key properties of N-[(3-chloro-5-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine?
N-[(3-chloro-5-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine has a molecular weight of 305.81 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-5-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 105031892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).