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

C14H17ClN4O — CID 80873827

IUPAC4-chloro-N-ethyl-6-(3-phenylpropoxy)-1,3,5-triazin-2-amine
SMILESCCNc1nc(Cl)nc(OCCCc2ccccc2)n1
InChIInChI=1S/C14H17ClN4O/c1-2-16-13-17-12(15)18-14(19-13)20-10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3,(H,16,17,18,19)
InChIKeyZVABBDYWVVJYSJ-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.97
Rot. Bonds7

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

4-chloro-N-ethyl-6-(3-phenylpropoxy)-1,3,5-triazin-2-amine (PubChem CID 80873827) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-chloro-N-ethyl-6-(3-phenylpropoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-ethyl-6-(3-phenylpropoxy)-1,3,5-triazin-2-amine
PubChem CID80873827
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name4-chloro-N-ethyl-6-(3-phenylpropoxy)-1,3,5-triazin-2-amine
SMILESCCNc1nc(Cl)nc(OCCCc2ccccc2)n1
InChIInChI=1S/C14H17ClN4O/c1-2-16-13-17-12(15)18-14(19-13)20-10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3,(H,16,17,18,19)
InChIKeyZVABBDYWVVJYSJ-UHFFFAOYSA-N
XLogP2.97
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-ethyl-6-octoxy-1,3,5-triazin-2-amine
CID 80862197
4-chloro-6-[3-(dimethylamino)propoxy]-N-ethyl-1,3,5-triazin-2-amine
CID 80871228
4-chloro-N-(3-phenylpropyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62863715
4-chloro-6-[2-(dimethylamino)ethoxy]-N-ethyl-1,3,5-triazin-2-amine
CID 80871608
4-chloro-N-ethyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine
CID 80869787
4-chloro-N-[2-(2-methylphenyl)ethyl]-6-propoxy-1,3,5-triazin-2-amine
CID 79755619
4-chloro-N-[(4-methylphenyl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 62870574
4-chloro-N-ethyl-6-(2-pyrrolidin-1-ylethoxy)-1,3,5-triazin-2-amine
CID 80870825
4-chloro-6-propoxy-N-(pyridin-4-ylmethyl)-1,3,5-triazin-2-amine
CID 62870587
4-N-methyl-2-N-(2-phenylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80772443
6-chloro-4-N-ethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 6452884
4-chloro-6-(cyclopropylmethoxy)-N-ethyl-1,3,5-triazin-2-amine
CID 80867584

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-6-(3-phenylpropoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-ethyl-6-(3-phenylpropoxy)-1,3,5-triazin-2-amine (CID 80873827) is 4-chloro-N-ethyl-6-(3-phenylpropoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-ethyl-6-(3-phenylpropoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-ethyl-6-(3-phenylpropoxy)-1,3,5-triazin-2-amine is CCNc1nc(Cl)nc(OCCCc2ccccc2)n1.
What is the InChIKey of 4-chloro-N-ethyl-6-(3-phenylpropoxy)-1,3,5-triazin-2-amine?
The InChIKey is ZVABBDYWVVJYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-2-16-13-17-12(15)18-14(19-13)20-10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3,(H,16,17,18,19).
What are the key properties of 4-chloro-N-ethyl-6-(3-phenylpropoxy)-1,3,5-triazin-2-amine?
4-chloro-N-ethyl-6-(3-phenylpropoxy)-1,3,5-triazin-2-amine has a molecular weight of 292.77 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-6-(3-phenylpropoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80873827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).