N-(1-chloro-2-phenylpropan-2-yl)-6-propan-2-yloxypyrazin-2-amine

C16H20ClN3O — CID 105059555

IUPACN-(1-chloro-2-phenylpropan-2-yl)-6-propan-2-yloxypyrazin-2-amine
SMILESCC(C)Oc1cncc(NC(C)(CCl)c2ccccc2)n1
InChIInChI=1S/C16H20ClN3O/c1-12(2)21-15-10-18-9-14(19-15)20-16(3,11-17)13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3,(H,19,20)
InChIKeyDOQHETNMACIDKO-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.83
Rot. Bonds6

About N-(1-chloro-2-phenylpropan-2-yl)-6-propan-2-yloxypyrazin-2-amine

N-(1-chloro-2-phenylpropan-2-yl)-6-propan-2-yloxypyrazin-2-amine (PubChem CID 105059555) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is N-(1-chloro-2-phenylpropan-2-yl)-6-propan-2-yloxypyrazin-2-amine.

Molecular Properties

Compound NameN-(1-chloro-2-phenylpropan-2-yl)-6-propan-2-yloxypyrazin-2-amine
PubChem CID105059555
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC NameN-(1-chloro-2-phenylpropan-2-yl)-6-propan-2-yloxypyrazin-2-amine
SMILESCC(C)Oc1cncc(NC(C)(CCl)c2ccccc2)n1
InChIInChI=1S/C16H20ClN3O/c1-12(2)21-15-10-18-9-14(19-15)20-16(3,11-17)13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3,(H,19,20)
InChIKeyDOQHETNMACIDKO-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-2-phenylpropan-2-yl)-6-propan-2-yloxypyrazin-2-amine?
The IUPAC name of N-(1-chloro-2-phenylpropan-2-yl)-6-propan-2-yloxypyrazin-2-amine (CID 105059555) is N-(1-chloro-2-phenylpropan-2-yl)-6-propan-2-yloxypyrazin-2-amine.
What is the SMILES notation for N-(1-chloro-2-phenylpropan-2-yl)-6-propan-2-yloxypyrazin-2-amine?
The canonical SMILES for N-(1-chloro-2-phenylpropan-2-yl)-6-propan-2-yloxypyrazin-2-amine is CC(C)Oc1cncc(NC(C)(CCl)c2ccccc2)n1.
What is the InChIKey of N-(1-chloro-2-phenylpropan-2-yl)-6-propan-2-yloxypyrazin-2-amine?
The InChIKey is DOQHETNMACIDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-12(2)21-15-10-18-9-14(19-15)20-16(3,11-17)13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3,(H,19,20).
What are the key properties of N-(1-chloro-2-phenylpropan-2-yl)-6-propan-2-yloxypyrazin-2-amine?
N-(1-chloro-2-phenylpropan-2-yl)-6-propan-2-yloxypyrazin-2-amine has a molecular weight of 305.81 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-2-phenylpropan-2-yl)-6-propan-2-yloxypyrazin-2-amine is sourced from PubChem (CID 105059555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).