4-[(3-chlorophenyl)methoxy]-6-methoxy-N-propyl-1,3,5-triazin-2-amine

C14H17ClN4O2 — CID 80871605

IUPAC4-[(3-chlorophenyl)methoxy]-6-methoxy-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OC)nc(OCc2cccc(Cl)c2)n1
InChIInChI=1S/C14H17ClN4O2/c1-3-7-16-12-17-13(20-2)19-14(18-12)21-9-10-5-4-6-11(15)8-10/h4-6,8H,3,7,9H2,1-2H3,(H,16,17,18,19)
InChIKeyQIYBUPWCPRPMKN-UHFFFAOYSA-N
MW308.77 g/mol
LogP2.93
Rot. Bonds7

About 4-[(3-chlorophenyl)methoxy]-6-methoxy-N-propyl-1,3,5-triazin-2-amine

4-[(3-chlorophenyl)methoxy]-6-methoxy-N-propyl-1,3,5-triazin-2-amine (PubChem CID 80871605) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)methoxy]-6-methoxy-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(3-chlorophenyl)methoxy]-6-methoxy-N-propyl-1,3,5-triazin-2-amine
PubChem CID80871605
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name4-[(3-chlorophenyl)methoxy]-6-methoxy-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OC)nc(OCc2cccc(Cl)c2)n1
InChIInChI=1S/C14H17ClN4O2/c1-3-7-16-12-17-13(20-2)19-14(18-12)21-9-10-5-4-6-11(15)8-10/h4-6,8H,3,7,9H2,1-2H3,(H,16,17,18,19)
InChIKeyQIYBUPWCPRPMKN-UHFFFAOYSA-N
XLogP2.93
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3-chlorophenyl)methoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
CID 80876394
4-(3-chlorophenyl)sulfanyl-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 80892069
4-[(2-bromophenyl)methoxy]-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 82808235
4-methoxy-6-[(3-methoxyphenyl)methoxy]-N-methyl-1,3,5-triazin-2-amine
CID 80868535
4-methoxy-6-(3-methoxyphenoxy)-N-propyl-1,3,5-triazin-2-amine
CID 80865867
2-N-(4-chloro-2-fluorophenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80781316
2-N-[(3-chlorophenyl)methyl]-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80832203
4-(3-chloro-4-fluorophenyl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 115504576
4-(3-chloro-2-fluorophenoxy)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 116691277
1-chloro-3-[(4-methoxyphenoxy)methyl]benzene
CID 112788879
4-(3-fluorophenoxy)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 80869841
4-[(5-chloro-3-pyridinyl)oxy]-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 80878172

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)methoxy]-6-methoxy-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(3-chlorophenyl)methoxy]-6-methoxy-N-propyl-1,3,5-triazin-2-amine (CID 80871605) is 4-[(3-chlorophenyl)methoxy]-6-methoxy-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(3-chlorophenyl)methoxy]-6-methoxy-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(3-chlorophenyl)methoxy]-6-methoxy-N-propyl-1,3,5-triazin-2-amine is CCCNc1nc(OC)nc(OCc2cccc(Cl)c2)n1.
What is the InChIKey of 4-[(3-chlorophenyl)methoxy]-6-methoxy-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is QIYBUPWCPRPMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-3-7-16-12-17-13(20-2)19-14(18-12)21-9-10-5-4-6-11(15)8-10/h4-6,8H,3,7,9H2,1-2H3,(H,16,17,18,19).
What are the key properties of 4-[(3-chlorophenyl)methoxy]-6-methoxy-N-propyl-1,3,5-triazin-2-amine?
4-[(3-chlorophenyl)methoxy]-6-methoxy-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 308.77 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenyl)methoxy]-6-methoxy-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80871605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).