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

C16H20ClN3O — CID 105032207

IUPACN-[(2-chloro-3-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(C)c1Cl)c1nccnc1OC
InChIInChI=1S/C16H20ClN3O/c1-4-8-18-14(12-7-5-6-11(2)13(12)17)15-16(21-3)20-10-9-19-15/h5-7,9-10,14,18H,4,8H2,1-3H3
InChIKeyNZPQZPWGTMOHRG-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.54
Rot. Bonds6

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

N-[(2-chloro-3-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine (PubChem CID 105032207) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is N-[(2-chloro-3-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-3-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
PubChem CID105032207
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC NameN-[(2-chloro-3-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(C)c1Cl)c1nccnc1OC
InChIInChI=1S/C16H20ClN3O/c1-4-8-18-14(12-7-5-6-11(2)13(12)17)15-16(21-3)20-10-9-19-15/h5-7,9-10,14,18H,4,8H2,1-3H3
InChIKeyNZPQZPWGTMOHRG-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

N-[(2-chloro-3-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 115793334
N-[(4-bromo-2-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 105031988
N-[(2,3-dimethylphenyl)-(2-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 105140730
N-[(3,4-dimethylphenyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 105032115
N-[(1,5-dimethylpyrazol-4-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 105178595
N-[(3-ethyl-4-pyridinyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 104516047
N-[(3-chloro-5-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 105031892
N-[(3-methoxypyrazin-2-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 105031971
N-[(4,5-dimethylthiophen-2-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 105031771
N-[1-(3-methoxypyrazin-2-yl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 104515448
N-[(3-chloro-4-methylphenyl)-(2-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 107561571
N-[(3-chloro-2-pyridinyl)-(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine
CID 103444855

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-3-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-chloro-3-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine (CID 105032207) is N-[(2-chloro-3-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-chloro-3-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-chloro-3-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine is CCCNC(c1cccc(C)c1Cl)c1nccnc1OC.
What is the InChIKey of N-[(2-chloro-3-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine?
The InChIKey is NZPQZPWGTMOHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-4-8-18-14(12-7-5-6-11(2)13(12)17)15-16(21-3)20-10-9-19-15/h5-7,9-10,14,18H,4,8H2,1-3H3.
What are the key properties of N-[(2-chloro-3-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine?
N-[(2-chloro-3-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-[(2-chloro-3-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 105032207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).