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

C14H25ClN4O — CID 107817648

IUPAC4-chloro-N-(2-ethylhexyl)-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCCC(CC)CNc1nc(Cl)nc(OCCC)n1
InChIInChI=1S/C14H25ClN4O/c1-4-7-8-11(6-3)10-16-13-17-12(15)18-14(19-13)20-9-5-2/h11H,4-10H2,1-3H3,(H,16,17,18,19)
InChIKeyNOBDXAMNERBNMV-UHFFFAOYSA-N
MW300.83 g/mol
LogP3.94
Rot. Bonds10

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

4-chloro-N-(2-ethylhexyl)-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 107817648) has the molecular formula C14H25ClN4O and a molecular weight of 300.83 g/mol. Its IUPAC name is 4-chloro-N-(2-ethylhexyl)-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(2-ethylhexyl)-6-propoxy-1,3,5-triazin-2-amine
PubChem CID107817648
Molecular FormulaC14H25ClN4O
Molecular Weight300.83 g/mol
Exact Mass300.17
IUPAC Name4-chloro-N-(2-ethylhexyl)-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCCC(CC)CNc1nc(Cl)nc(OCCC)n1
InChIInChI=1S/C14H25ClN4O/c1-4-7-8-11(6-3)10-16-13-17-12(15)18-14(19-13)20-9-5-2/h11H,4-10H2,1-3H3,(H,16,17,18,19)
InChIKeyNOBDXAMNERBNMV-UHFFFAOYSA-N
XLogP3.94
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]propan-2-ol
CID 62864552
4-chloro-6-propoxy-N-(2,3,3-trimethylbutyl)-1,3,5-triazin-2-amine
CID 83144392
4-chloro-6-(2-ethylhexoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80861510
3-[[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]methyl]hexan-1-ol
CID 106116866
4-chloro-N-(2-ethylhexyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 107817609
4-chloro-N-ethyl-6-octoxy-1,3,5-triazin-2-amine
CID 80862197
4-chloro-N-(2-methoxy-2-methylpropyl)-6-propoxy-1,3,5-triazin-2-amine
CID 104764536
6-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]hexan-1-ol
CID 114009389
4-chloro-N-pent-4-ynyl-6-propoxy-1,3,5-triazin-2-amine
CID 106223061
N-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 62862613
N-(2-bromoprop-2-enyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine
CID 106195557
1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-2,4-dimethylpentan-2-ol
CID 66172881

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-ethylhexyl)-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(2-ethylhexyl)-6-propoxy-1,3,5-triazin-2-amine (CID 107817648) is 4-chloro-N-(2-ethylhexyl)-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(2-ethylhexyl)-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(2-ethylhexyl)-6-propoxy-1,3,5-triazin-2-amine is CCCCC(CC)CNc1nc(Cl)nc(OCCC)n1.
What is the InChIKey of 4-chloro-N-(2-ethylhexyl)-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is NOBDXAMNERBNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25ClN4O/c1-4-7-8-11(6-3)10-16-13-17-12(15)18-14(19-13)20-9-5-2/h11H,4-10H2,1-3H3,(H,16,17,18,19).
What are the key properties of 4-chloro-N-(2-ethylhexyl)-6-propoxy-1,3,5-triazin-2-amine?
4-chloro-N-(2-ethylhexyl)-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 300.83 g/mol, XLogP of 3.94, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-ethylhexyl)-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 107817648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).