4-(2-chloro-5-fluorophenyl)-N-ethyl-6-propoxy-1,3,5-triazin-2-amine

C14H16ClFN4O — CID 105396112

IUPAC4-(2-chloro-5-fluorophenyl)-N-ethyl-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NCC)nc(-c2cc(F)ccc2Cl)n1
InChIInChI=1S/C14H16ClFN4O/c1-3-7-21-14-19-12(18-13(20-14)17-4-2)10-8-9(16)5-6-11(10)15/h5-6,8H,3-4,7H2,1-2H3,(H,17,18,19,20)
InChIKeyRHXXEIXJLHDZKJ-UHFFFAOYSA-N
MW310.76 g/mol
LogP3.55
Rot. Bonds6

About 4-(2-chloro-5-fluorophenyl)-N-ethyl-6-propoxy-1,3,5-triazin-2-amine

4-(2-chloro-5-fluorophenyl)-N-ethyl-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 105396112) has the molecular formula C14H16ClFN4O and a molecular weight of 310.76 g/mol. Its IUPAC name is 4-(2-chloro-5-fluorophenyl)-N-ethyl-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-chloro-5-fluorophenyl)-N-ethyl-6-propoxy-1,3,5-triazin-2-amine
PubChem CID105396112
Molecular FormulaC14H16ClFN4O
Molecular Weight310.76 g/mol
Exact Mass310.10
IUPAC Name4-(2-chloro-5-fluorophenyl)-N-ethyl-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NCC)nc(-c2cc(F)ccc2Cl)n1
InChIInChI=1S/C14H16ClFN4O/c1-3-7-21-14-19-12(18-13(20-14)17-4-2)10-8-9(16)5-6-11(10)15/h5-6,8H,3-4,7H2,1-2H3,(H,17,18,19,20)
InChIKeyRHXXEIXJLHDZKJ-UHFFFAOYSA-N
XLogP3.55
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.76
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-Chlorophenyl)-1,3,5-triazine-2,4-diamine
CID 97399
6-(2-chlorophenyl)-2-N,4-N-bis[(1R)-1-cyclopropylethyl]-1,3,5-triazine-2,4-diamine
CID 117817340
4-(2-Chlorophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 90645151
2'-CL-5'-Fluorobenzoguanamine
CID 12852442
6-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 34693978
N-[(2-chlorophenyl)methyl]-4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 15857811
2-N-[1-(4-chlorophenyl)ethyl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 22965413
2-N-[1-(4-chlorophenyl)ethyl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine
CID 22965414
N-[(4-chlorophenyl)methyl]-4-ethoxy-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine
CID 58040027
6-(2-chloro-6-fluorophenyl)-2-N-[(E)-(4-methylphenyl)methylideneamino]-4-N-(oxolan-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 58065250
4-(2-Chloro-4-fluorophenyl)-1,3,5-triazin-2-amine
CID 63867283
6-(2-chloro-6-fluorophenyl)-2-N-[(4-methylphenyl)methylideneamino]-4-N-(oxolan-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 68063091

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-fluorophenyl)-N-ethyl-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-chloro-5-fluorophenyl)-N-ethyl-6-propoxy-1,3,5-triazin-2-amine (CID 105396112) is 4-(2-chloro-5-fluorophenyl)-N-ethyl-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-chloro-5-fluorophenyl)-N-ethyl-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-chloro-5-fluorophenyl)-N-ethyl-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(NCC)nc(-c2cc(F)ccc2Cl)n1.
What is the InChIKey of 4-(2-chloro-5-fluorophenyl)-N-ethyl-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is RHXXEIXJLHDZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN4O/c1-3-7-21-14-19-12(18-13(20-14)17-4-2)10-8-9(16)5-6-11(10)15/h5-6,8H,3-4,7H2,1-2H3,(H,17,18,19,20).
What are the key properties of 4-(2-chloro-5-fluorophenyl)-N-ethyl-6-propoxy-1,3,5-triazin-2-amine?
4-(2-chloro-5-fluorophenyl)-N-ethyl-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 310.76 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-fluorophenyl)-N-ethyl-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 105396112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).