N-propyl-2-[(2,4,6-trimethylphenoxy)methyl]pyridin-4-amine

C18H24N2O — CID 79261906

IUPACN-propyl-2-[(2,4,6-trimethylphenoxy)methyl]pyridin-4-amine
SMILESCCCNc1ccnc(COc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C18H24N2O/c1-5-7-19-16-6-8-20-17(11-16)12-21-18-14(3)9-13(2)10-15(18)4/h6,8-11H,5,7,12H2,1-4H3,(H,19,20)
InChIKeyAEMICWXVXYEBIE-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.41
Rot. Bonds6

About N-propyl-2-[(2,4,6-trimethylphenoxy)methyl]pyridin-4-amine

N-propyl-2-[(2,4,6-trimethylphenoxy)methyl]pyridin-4-amine (PubChem CID 79261906) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-propyl-2-[(2,4,6-trimethylphenoxy)methyl]pyridin-4-amine.

Molecular Properties

Compound NameN-propyl-2-[(2,4,6-trimethylphenoxy)methyl]pyridin-4-amine
PubChem CID79261906
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-propyl-2-[(2,4,6-trimethylphenoxy)methyl]pyridin-4-amine
SMILESCCCNc1ccnc(COc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C18H24N2O/c1-5-7-19-16-6-8-20-17(11-16)12-21-18-14(3)9-13(2)10-15(18)4/h6,8-11H,5,7,12H2,1-4H3,(H,19,20)
InChIKeyAEMICWXVXYEBIE-UHFFFAOYSA-N
XLogP4.41
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propyl-2-[(2,4,6-trimethylphenoxy)methyl]pyridin-4-amine?
The IUPAC name of N-propyl-2-[(2,4,6-trimethylphenoxy)methyl]pyridin-4-amine (CID 79261906) is N-propyl-2-[(2,4,6-trimethylphenoxy)methyl]pyridin-4-amine.
What is the SMILES notation for N-propyl-2-[(2,4,6-trimethylphenoxy)methyl]pyridin-4-amine?
The canonical SMILES for N-propyl-2-[(2,4,6-trimethylphenoxy)methyl]pyridin-4-amine is CCCNc1ccnc(COc2c(C)cc(C)cc2C)c1.
What is the InChIKey of N-propyl-2-[(2,4,6-trimethylphenoxy)methyl]pyridin-4-amine?
The InChIKey is AEMICWXVXYEBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-5-7-19-16-6-8-20-17(11-16)12-21-18-14(3)9-13(2)10-15(18)4/h6,8-11H,5,7,12H2,1-4H3,(H,19,20).
What are the key properties of N-propyl-2-[(2,4,6-trimethylphenoxy)methyl]pyridin-4-amine?
N-propyl-2-[(2,4,6-trimethylphenoxy)methyl]pyridin-4-amine has a molecular weight of 284.40 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-[(2,4,6-trimethylphenoxy)methyl]pyridin-4-amine is sourced from PubChem (CID 79261906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).