4-(3-chloro-5-fluorophenoxy)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine

C14H16ClFN4O — CID 166297611

IUPAC4-(3-chloro-5-fluorophenoxy)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCC(C)c1nc(Oc2cc(F)cc(Cl)c2)nc(N(C)C)n1
InChIInChI=1S/C14H16ClFN4O/c1-8(2)12-17-13(20(3)4)19-14(18-12)21-11-6-9(15)5-10(16)7-11/h5-8H,1-4H3
InChIKeyHXGPPCRHKPCJLY-UHFFFAOYSA-N
MW310.76 g/mol
LogP3.65
Rot. Bonds4

About 4-(3-chloro-5-fluorophenoxy)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine

4-(3-chloro-5-fluorophenoxy)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine (PubChem CID 166297611) has the molecular formula C14H16ClFN4O and a molecular weight of 310.76 g/mol. Its IUPAC name is 4-(3-chloro-5-fluorophenoxy)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3-chloro-5-fluorophenoxy)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
PubChem CID166297611
Molecular FormulaC14H16ClFN4O
Molecular Weight310.76 g/mol
Exact Mass310.10
IUPAC Name4-(3-chloro-5-fluorophenoxy)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCC(C)c1nc(Oc2cc(F)cc(Cl)c2)nc(N(C)C)n1
InChIInChI=1S/C14H16ClFN4O/c1-8(2)12-17-13(20(3)4)19-14(18-12)21-11-6-9(15)5-10(16)7-11/h5-8H,1-4H3
InChIKeyHXGPPCRHKPCJLY-UHFFFAOYSA-N
XLogP3.65
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.76
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-5-fluorophenoxy)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3-chloro-5-fluorophenoxy)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine (CID 166297611) is 4-(3-chloro-5-fluorophenoxy)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3-chloro-5-fluorophenoxy)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3-chloro-5-fluorophenoxy)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine is CC(C)c1nc(Oc2cc(F)cc(Cl)c2)nc(N(C)C)n1.
What is the InChIKey of 4-(3-chloro-5-fluorophenoxy)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine?
The InChIKey is HXGPPCRHKPCJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN4O/c1-8(2)12-17-13(20(3)4)19-14(18-12)21-11-6-9(15)5-10(16)7-11/h5-8H,1-4H3.
What are the key properties of 4-(3-chloro-5-fluorophenoxy)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine?
4-(3-chloro-5-fluorophenoxy)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine has a molecular weight of 310.76 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-5-fluorophenoxy)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 166297611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).