N-[[4-chloro-2-(3-methoxypyrazin-2-yl)phenyl]methyl]propan-1-amine

C15H18ClN3O — CID 104516244

IUPACN-[[4-chloro-2-(3-methoxypyrazin-2-yl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(Cl)cc1-c1nccnc1OC
InChIInChI=1S/C15H18ClN3O/c1-3-6-17-10-11-4-5-12(16)9-13(11)14-15(20-2)19-8-7-18-14/h4-5,7-9,17H,3,6,10H2,1-2H3
InChIKeyLASSVQJWMNWZFJ-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.31
Rot. Bonds6

About N-[[4-chloro-2-(3-methoxypyrazin-2-yl)phenyl]methyl]propan-1-amine

N-[[4-chloro-2-(3-methoxypyrazin-2-yl)phenyl]methyl]propan-1-amine (PubChem CID 104516244) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is N-[[4-chloro-2-(3-methoxypyrazin-2-yl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-chloro-2-(3-methoxypyrazin-2-yl)phenyl]methyl]propan-1-amine
PubChem CID104516244
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC NameN-[[4-chloro-2-(3-methoxypyrazin-2-yl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(Cl)cc1-c1nccnc1OC
InChIInChI=1S/C15H18ClN3O/c1-3-6-17-10-11-4-5-12(16)9-13(11)14-15(20-2)19-8-7-18-14/h4-5,7-9,17H,3,6,10H2,1-2H3
InChIKeyLASSVQJWMNWZFJ-UHFFFAOYSA-N
XLogP3.31
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-chloro-2-(3-chloro-4-methylphenyl)phenyl]methyl]propan-1-amine
CID 115504137
N-[[2-(2,5-dichlorophenyl)phenyl]methyl]propan-1-amine
CID 63424612
N-[[4-chloro-2-(2-chloro-5-fluorophenyl)phenyl]methyl]propan-1-amine
CID 105395768
N-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methyl]propan-1-amine
CID 63428118
N-[[5-chloro-2-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-1-amine
CID 66158083
N-[[2-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]propan-1-amine
CID 66529661
N-[(5-chloro-2-propoxyphenyl)methyl]propan-1-amine
CID 29224432
N-[(2-butyl-4-chlorophenyl)methyl]propan-1-amine
CID 106659194
N-[[4-chloro-2-(1-ethoxyethenyl)phenyl]methyl]propan-1-amine
CID 165489704
N-[(4-chloro-2-propan-2-ylsulfanylphenyl)methyl]propan-1-amine
CID 114864462
N-[[5-chloro-2-[(1-propylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine
CID 79739256
N-[[2-[(4-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]propan-1-amine
CID 105391562

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-2-(3-methoxypyrazin-2-yl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-chloro-2-(3-methoxypyrazin-2-yl)phenyl]methyl]propan-1-amine (CID 104516244) is N-[[4-chloro-2-(3-methoxypyrazin-2-yl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-chloro-2-(3-methoxypyrazin-2-yl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-chloro-2-(3-methoxypyrazin-2-yl)phenyl]methyl]propan-1-amine is CCCNCc1ccc(Cl)cc1-c1nccnc1OC.
What is the InChIKey of N-[[4-chloro-2-(3-methoxypyrazin-2-yl)phenyl]methyl]propan-1-amine?
The InChIKey is LASSVQJWMNWZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-3-6-17-10-11-4-5-12(16)9-13(11)14-15(20-2)19-8-7-18-14/h4-5,7-9,17H,3,6,10H2,1-2H3.
What are the key properties of N-[[4-chloro-2-(3-methoxypyrazin-2-yl)phenyl]methyl]propan-1-amine?
N-[[4-chloro-2-(3-methoxypyrazin-2-yl)phenyl]methyl]propan-1-amine has a molecular weight of 291.78 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-2-(3-methoxypyrazin-2-yl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 104516244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).