N-[2-(chloromethyl)phenyl]-6-propan-2-yloxypyrazin-2-amine

C14H16ClN3O — CID 65027390

IUPACN-[2-(chloromethyl)phenyl]-6-propan-2-yloxypyrazin-2-amine
SMILESCC(C)Oc1cncc(Nc2ccccc2CCl)n1
InChIInChI=1S/C14H16ClN3O/c1-10(2)19-14-9-16-8-13(18-14)17-12-6-4-3-5-11(12)7-15/h3-6,8-10H,7H2,1-2H3,(H,17,18)
InChIKeyCWUQEABSQAKTGC-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.75
Rot. Bonds5

About N-[2-(chloromethyl)phenyl]-6-propan-2-yloxypyrazin-2-amine

N-[2-(chloromethyl)phenyl]-6-propan-2-yloxypyrazin-2-amine (PubChem CID 65027390) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is N-[2-(chloromethyl)phenyl]-6-propan-2-yloxypyrazin-2-amine.

Molecular Properties

Compound NameN-[2-(chloromethyl)phenyl]-6-propan-2-yloxypyrazin-2-amine
PubChem CID65027390
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC NameN-[2-(chloromethyl)phenyl]-6-propan-2-yloxypyrazin-2-amine
SMILESCC(C)Oc1cncc(Nc2ccccc2CCl)n1
InChIInChI=1S/C14H16ClN3O/c1-10(2)19-14-9-16-8-13(18-14)17-12-6-4-3-5-11(12)7-15/h3-6,8-10H,7H2,1-2H3,(H,17,18)
InChIKeyCWUQEABSQAKTGC-UHFFFAOYSA-N
XLogP3.75
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.75
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

N-(1-chloro-2-phenylpropan-2-yl)-6-propan-2-yloxypyrazin-2-amine
CID 105059555
N-[2-(chloromethyl)phenyl]quinoxalin-2-amine
CID 65027944
ethane;2-methyl-N-(6-propan-2-yloxypyrazin-2-yl)propanamide
CID 145083687
N-[2-(chloromethyl)phenyl]-6-methylpyridin-2-amine
CID 65027662
6-chloro-N-[2-(2-methoxyethyl)phenyl]pyrazin-2-amine
CID 102907301
N-(1-chloro-3-methylpentan-3-yl)-6-propan-2-yloxypyrazin-2-amine
CID 106167669
N-[2-(2-chloroethyl)pentyl]-6-propan-2-yloxypyrazin-2-amine
CID 106117265
N-(2-chloro-3-methoxypropyl)-6-propan-2-yloxypyrazin-2-amine
CID 65027123
3-methyl-2-N-(6-propan-2-yloxypyrazin-2-yl)butane-1,2-diamine
CID 65192090
6-N-ethyl-2-N-(2-propylphenyl)pyrazine-2,6-diamine
CID 80807077
3-methyl-2-[[(6-propan-2-yloxypyrazin-2-yl)amino]methyl]butanoic acid
CID 65226992
3-methyl-4-[(6-propan-2-yloxypyrazin-2-yl)amino]butan-1-ol
CID 133484788

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)phenyl]-6-propan-2-yloxypyrazin-2-amine?
The IUPAC name of N-[2-(chloromethyl)phenyl]-6-propan-2-yloxypyrazin-2-amine (CID 65027390) is N-[2-(chloromethyl)phenyl]-6-propan-2-yloxypyrazin-2-amine.
What is the SMILES notation for N-[2-(chloromethyl)phenyl]-6-propan-2-yloxypyrazin-2-amine?
The canonical SMILES for N-[2-(chloromethyl)phenyl]-6-propan-2-yloxypyrazin-2-amine is CC(C)Oc1cncc(Nc2ccccc2CCl)n1.
What is the InChIKey of N-[2-(chloromethyl)phenyl]-6-propan-2-yloxypyrazin-2-amine?
The InChIKey is CWUQEABSQAKTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-10(2)19-14-9-16-8-13(18-14)17-12-6-4-3-5-11(12)7-15/h3-6,8-10H,7H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(chloromethyl)phenyl]-6-propan-2-yloxypyrazin-2-amine?
N-[2-(chloromethyl)phenyl]-6-propan-2-yloxypyrazin-2-amine has a molecular weight of 277.75 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)phenyl]-6-propan-2-yloxypyrazin-2-amine is sourced from PubChem (CID 65027390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).