1-[4-[(3-chlorophenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine

C18H20ClN5O — CID 129010574

IUPAC1-[4-[(3-chlorophenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCC1(C)N=C(N)N=C(N)N1c1ccc(OCc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H20ClN5O/c1-18(2)23-16(20)22-17(21)24(18)14-6-8-15(9-7-14)25-11-12-4-3-5-13(19)10-12/h3-10H,11H2,1-2H3,(H4,20,21,22,23)
InChIKeyBWFFXMZFZAXKSM-UHFFFAOYSA-N
MW357.85 g/mol
LogP3.10
Rot. Bonds4

About 1-[4-[(3-chlorophenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine

1-[4-[(3-chlorophenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 129010574) has the molecular formula C18H20ClN5O and a molecular weight of 357.85 g/mol. Its IUPAC name is 1-[4-[(3-chlorophenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name1-[4-[(3-chlorophenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID129010574
Molecular FormulaC18H20ClN5O
Molecular Weight357.85 g/mol
Exact Mass357.14
IUPAC Name1-[4-[(3-chlorophenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCC1(C)N=C(N)N=C(N)N1c1ccc(OCc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H20ClN5O/c1-18(2)23-16(20)22-17(21)24(18)14-6-8-15(9-7-14)25-11-12-4-3-5-13(19)10-12/h3-10H,11H2,1-2H3,(H4,20,21,22,23)
InChIKeyBWFFXMZFZAXKSM-UHFFFAOYSA-N
XLogP3.10
TPSA89.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.85
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-chlorophenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 1-[4-[(3-chlorophenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine (CID 129010574) is 1-[4-[(3-chlorophenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 1-[4-[(3-chlorophenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 1-[4-[(3-chlorophenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine is CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2cccc(Cl)c2)cc1.
What is the InChIKey of 1-[4-[(3-chlorophenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is BWFFXMZFZAXKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O/c1-18(2)23-16(20)22-17(21)24(18)14-6-8-15(9-7-14)25-11-12-4-3-5-13(19)10-12/h3-10H,11H2,1-2H3,(H4,20,21,22,23).
What are the key properties of 1-[4-[(3-chlorophenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
1-[4-[(3-chlorophenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 357.85 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-chlorophenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 129010574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).