N-(1-chloro-3-phenylpropan-2-yl)-6-ethoxypyrazin-2-amine

C15H18ClN3O — CID 65029274

IUPACN-(1-chloro-3-phenylpropan-2-yl)-6-ethoxypyrazin-2-amine
SMILESCCOc1cncc(NC(CCl)Cc2ccccc2)n1
InChIInChI=1S/C15H18ClN3O/c1-2-20-15-11-17-10-14(19-15)18-13(9-16)8-12-6-4-3-5-7-12/h3-7,10-11,13H,2,8-9H2,1H3,(H,18,19)
InChIKeyYRZOUTAFPUAWHG-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.14
Rot. Bonds7

About N-(1-chloro-3-phenylpropan-2-yl)-6-ethoxypyrazin-2-amine

N-(1-chloro-3-phenylpropan-2-yl)-6-ethoxypyrazin-2-amine (PubChem CID 65029274) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is N-(1-chloro-3-phenylpropan-2-yl)-6-ethoxypyrazin-2-amine.

Molecular Properties

Compound NameN-(1-chloro-3-phenylpropan-2-yl)-6-ethoxypyrazin-2-amine
PubChem CID65029274
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC NameN-(1-chloro-3-phenylpropan-2-yl)-6-ethoxypyrazin-2-amine
SMILESCCOc1cncc(NC(CCl)Cc2ccccc2)n1
InChIInChI=1S/C15H18ClN3O/c1-2-20-15-11-17-10-14(19-15)18-13(9-16)8-12-6-4-3-5-7-12/h3-7,10-11,13H,2,8-9H2,1H3,(H,18,19)
InChIKeyYRZOUTAFPUAWHG-UHFFFAOYSA-N
XLogP3.14
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(6-ethoxypyrazin-2-yl)-3-phenylpropanoic acid
CID 104571529
2-N-(6-ethoxypyrazin-2-yl)-3-methoxypropane-1,2-diamine
CID 106182379
5-bromo-N-(1-chloro-3-phenylpropan-2-yl)pyridin-2-amine
CID 65029483
N-(6-ethoxypyrazin-2-yl)benzenesulfonamide
CID 155403187
6-phenylmethoxy-N-propylpyrazin-2-amine
CID 80858905
N-[4-(2-chloroethyl)phenyl]-6-ethoxypyrazin-2-amine
CID 65027902
5-bromo-N-(1-chloro-3-phenylpropan-2-yl)pyrimidin-2-amine
CID 65029433
N-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide
CID 163271294
N-(1-chloro-3-phenylpropan-2-yl)-4-ethyl-1,3-thiazol-2-amine
CID 65029172
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-6-ethoxypyrazin-2-amine
CID 65028581
N-(1-chloro-3-phenylpropan-2-yl)-3-ethyltriazol-4-amine
CID 114223426
(2R)-1-[(6-phenylmethoxypyrazin-2-yl)amino]propan-2-ol
CID 97087587

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-phenylpropan-2-yl)-6-ethoxypyrazin-2-amine?
The IUPAC name of N-(1-chloro-3-phenylpropan-2-yl)-6-ethoxypyrazin-2-amine (CID 65029274) is N-(1-chloro-3-phenylpropan-2-yl)-6-ethoxypyrazin-2-amine.
What is the SMILES notation for N-(1-chloro-3-phenylpropan-2-yl)-6-ethoxypyrazin-2-amine?
The canonical SMILES for N-(1-chloro-3-phenylpropan-2-yl)-6-ethoxypyrazin-2-amine is CCOc1cncc(NC(CCl)Cc2ccccc2)n1.
What is the InChIKey of N-(1-chloro-3-phenylpropan-2-yl)-6-ethoxypyrazin-2-amine?
The InChIKey is YRZOUTAFPUAWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-2-20-15-11-17-10-14(19-15)18-13(9-16)8-12-6-4-3-5-7-12/h3-7,10-11,13H,2,8-9H2,1H3,(H,18,19).
What are the key properties of N-(1-chloro-3-phenylpropan-2-yl)-6-ethoxypyrazin-2-amine?
N-(1-chloro-3-phenylpropan-2-yl)-6-ethoxypyrazin-2-amine has a molecular weight of 291.78 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-phenylpropan-2-yl)-6-ethoxypyrazin-2-amine is sourced from PubChem (CID 65029274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).