4-chloro-N,N-diethyl-6-(2-methoxyphenoxy)-1,3,5-triazin-2-amine

C14H17ClN4O2 — CID 12846659

IUPAC4-chloro-N,N-diethyl-6-(2-methoxyphenoxy)-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(Cl)nc(Oc2ccccc2OC)n1
InChIInChI=1S/C14H17ClN4O2/c1-4-19(5-2)13-16-12(15)17-14(18-13)21-11-9-7-6-8-10(11)20-3/h6-9H,4-5H2,1-3H3
InChIKeyQMSWBYBSAAFGOH-UHFFFAOYSA-N
MW308.77 g/mol
LogP3.17
Rot. Bonds6

About 4-chloro-N,N-diethyl-6-(2-methoxyphenoxy)-1,3,5-triazin-2-amine

4-chloro-N,N-diethyl-6-(2-methoxyphenoxy)-1,3,5-triazin-2-amine (PubChem CID 12846659) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 4-chloro-N,N-diethyl-6-(2-methoxyphenoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N,N-diethyl-6-(2-methoxyphenoxy)-1,3,5-triazin-2-amine
PubChem CID12846659
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name4-chloro-N,N-diethyl-6-(2-methoxyphenoxy)-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(Cl)nc(Oc2ccccc2OC)n1
InChIInChI=1S/C14H17ClN4O2/c1-4-19(5-2)13-16-12(15)17-14(18-13)21-11-9-7-6-8-10(11)20-3/h6-9H,4-5H2,1-3H3
InChIKeyQMSWBYBSAAFGOH-UHFFFAOYSA-N
XLogP3.17
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-Chloro-6-(dimethylamino)-1,3,5-triazin-2-yl](2-phenoxyethyl)cyanamide
CID 614541
[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl]-[2-(2-methoxyphenoxy)ethyl]cyanamide
CID 3125344
2,4,6-Tris(2-methoxyphenoxy)-1,3,5-triazine
CID 4094680
4-chloro-N,N-diethyl-6-(4-fluorophenoxy)-1,3,5-triazin-2-amine
CID 15569239
N-(4,6-Diphenoxy-1,3,5-triazin-2-YL)-N,N-diethylamine
CID 686437
N,N-Dimethyl-4,6-diphenoxy-1,3,5-triazin-2-amine
CID 12757361
N2,N2,N4,N4-tetramethyl-6-phenoxy-1,3,5-triazine-2,4-diamine
CID 21754612
1,3,5-Triazin-2-amine, 4-chloro-N,N-diethyl-6-(3-fluorophenoxy)-
CID 158833
4-chloro-N,N-diethyl-6-(2-fluorophenoxy)-1,3,5-triazin-2-amine
CID 15569238
4,6-diphenoxy-N,N-di(prop-2-en-1-yl)-1,3,5-triazin-2-amine
CID 298160
2-Chloro-4-methoxy-6-phenoxy-1,3,5-triazine
CID 608688
4-chloro-6-(2,4-difluorophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine
CID 55124475

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-diethyl-6-(2-methoxyphenoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N,N-diethyl-6-(2-methoxyphenoxy)-1,3,5-triazin-2-amine (CID 12846659) is 4-chloro-N,N-diethyl-6-(2-methoxyphenoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N,N-diethyl-6-(2-methoxyphenoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N,N-diethyl-6-(2-methoxyphenoxy)-1,3,5-triazin-2-amine is CCN(CC)c1nc(Cl)nc(Oc2ccccc2OC)n1.
What is the InChIKey of 4-chloro-N,N-diethyl-6-(2-methoxyphenoxy)-1,3,5-triazin-2-amine?
The InChIKey is QMSWBYBSAAFGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-4-19(5-2)13-16-12(15)17-14(18-13)21-11-9-7-6-8-10(11)20-3/h6-9H,4-5H2,1-3H3.
What are the key properties of 4-chloro-N,N-diethyl-6-(2-methoxyphenoxy)-1,3,5-triazin-2-amine?
4-chloro-N,N-diethyl-6-(2-methoxyphenoxy)-1,3,5-triazin-2-amine has a molecular weight of 308.77 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-diethyl-6-(2-methoxyphenoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 12846659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).