N-[4-(2-chloroethyl)phenyl]-6-ethoxypyrazin-2-amine

C14H16ClN3O — CID 65027902

IUPACN-[4-(2-chloroethyl)phenyl]-6-ethoxypyrazin-2-amine
SMILESCCOc1cncc(Nc2ccc(CCCl)cc2)n1
InChIInChI=1S/C14H16ClN3O/c1-2-19-14-10-16-9-13(18-14)17-12-5-3-11(4-6-12)7-8-15/h3-6,9-10H,2,7-8H2,1H3,(H,17,18)
InChIKeyKJLWHHIJAQRRDV-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.40
Rot. Bonds6

About N-[4-(2-chloroethyl)phenyl]-6-ethoxypyrazin-2-amine

N-[4-(2-chloroethyl)phenyl]-6-ethoxypyrazin-2-amine (PubChem CID 65027902) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is N-[4-(2-chloroethyl)phenyl]-6-ethoxypyrazin-2-amine.

Molecular Properties

Compound NameN-[4-(2-chloroethyl)phenyl]-6-ethoxypyrazin-2-amine
PubChem CID65027902
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC NameN-[4-(2-chloroethyl)phenyl]-6-ethoxypyrazin-2-amine
SMILESCCOc1cncc(Nc2ccc(CCCl)cc2)n1
InChIInChI=1S/C14H16ClN3O/c1-2-19-14-10-16-9-13(18-14)17-12-5-3-11(4-6-12)7-8-15/h3-6,9-10H,2,7-8H2,1H3,(H,17,18)
InChIKeyKJLWHHIJAQRRDV-UHFFFAOYSA-N
XLogP3.40
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.40
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-[4-(2-chloroethyl)phenyl]-6-methoxypyrazin-2-amine
CID 65027901
4-[(6-ethoxypyrazin-2-yl)amino]-2-fluorobenzoic acid
CID 107793320
6-N-ethyl-2-N-(4-propylphenyl)pyrazine-2,6-diamine
CID 80778845
N-(1-chloro-3-phenylpropan-2-yl)-6-ethoxypyrazin-2-amine
CID 65029274
N-(4-ethylphenyl)-6-hydrazinylpyrazin-2-amine
CID 80928517
(6-ethoxypyrazin-2-yl)thiourea
CID 90714777
N-[4-(chloromethyl)phenyl]-4-ethoxypyrimidin-2-amine
CID 112639276
6-(4-butylanilino)pyrazine-2-carboxylic acid
CID 66457204
N-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide
CID 163271294
N-[4-(2-chloroethyl)phenyl]-4-methylpyrimidin-2-amine
CID 65027900
N-(6-ethoxypyrazin-2-yl)benzenesulfonamide
CID 155403187
(2R,4R)-5-[(6-ethoxypyrazin-2-yl)amino]-4-methylpentan-2-ol
CID 124741988

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chloroethyl)phenyl]-6-ethoxypyrazin-2-amine?
The IUPAC name of N-[4-(2-chloroethyl)phenyl]-6-ethoxypyrazin-2-amine (CID 65027902) is N-[4-(2-chloroethyl)phenyl]-6-ethoxypyrazin-2-amine.
What is the SMILES notation for N-[4-(2-chloroethyl)phenyl]-6-ethoxypyrazin-2-amine?
The canonical SMILES for N-[4-(2-chloroethyl)phenyl]-6-ethoxypyrazin-2-amine is CCOc1cncc(Nc2ccc(CCCl)cc2)n1.
What is the InChIKey of N-[4-(2-chloroethyl)phenyl]-6-ethoxypyrazin-2-amine?
The InChIKey is KJLWHHIJAQRRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-2-19-14-10-16-9-13(18-14)17-12-5-3-11(4-6-12)7-8-15/h3-6,9-10H,2,7-8H2,1H3,(H,17,18).
What are the key properties of N-[4-(2-chloroethyl)phenyl]-6-ethoxypyrazin-2-amine?
N-[4-(2-chloroethyl)phenyl]-6-ethoxypyrazin-2-amine has a molecular weight of 277.75 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chloroethyl)phenyl]-6-ethoxypyrazin-2-amine is sourced from PubChem (CID 65027902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).