N-[[4-(2,5-dimethylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine

C18H24N2O — CID 62295739

IUPACN-[[4-(2,5-dimethylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCc1ccc(C)c(Oc2ccnc(CNCC(C)C)c2)c1
InChIInChI=1S/C18H24N2O/c1-13(2)11-19-12-16-10-17(7-8-20-16)21-18-9-14(3)5-6-15(18)4/h5-10,13,19H,11-12H2,1-4H3
InChIKeyNIFXFBMGFJNPLF-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.24
Rot. Bonds6

About N-[[4-(2,5-dimethylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine

N-[[4-(2,5-dimethylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 62295739) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[[4-(2,5-dimethylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-(2,5-dimethylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID62295739
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[[4-(2,5-dimethylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCc1ccc(C)c(Oc2ccnc(CNCC(C)C)c2)c1
InChIInChI=1S/C18H24N2O/c1-13(2)11-19-12-16-10-17(7-8-20-16)21-18-9-14(3)5-6-15(18)4/h5-10,13,19H,11-12H2,1-4H3
InChIKeyNIFXFBMGFJNPLF-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-(2,5-dimethylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[6-(2,5-dimethylphenoxy)pyridazin-3-yl]methyl]-2-methylpropan-1-amine
CID 62296786
N-[[4-(4-chloro-3-fluorophenoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 82718553
N-[(4-butan-2-yloxy-2-pyridinyl)methyl]-2-methylpropan-1-amine
CID 62296126
N-[[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 64601790
2-methyl-N-[[4-(1-phenylethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62290876
N-[[4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 104566255
2-(chloromethyl)-4-(5-methyl-2-propan-2-ylphenoxy)pyridine
CID 61269909
N-[[4-(3,5-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 64730619
N-[[5-(3,4-dimethylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107381790
N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 62453755
N-[[4-(2-chloro-5-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62322053
N-[[6-(2,4-dimethylphenoxy)pyridazin-3-yl]methyl]-2-methylpropan-1-amine
CID 62297972

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,5-dimethylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-(2,5-dimethylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine (CID 62295739) is N-[[4-(2,5-dimethylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-(2,5-dimethylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-(2,5-dimethylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine is Cc1ccc(C)c(Oc2ccnc(CNCC(C)C)c2)c1.
What is the InChIKey of N-[[4-(2,5-dimethylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is NIFXFBMGFJNPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-13(2)11-19-12-16-10-17(7-8-20-16)21-18-9-14(3)5-6-15(18)4/h5-10,13,19H,11-12H2,1-4H3.
What are the key properties of N-[[4-(2,5-dimethylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[4-(2,5-dimethylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 284.40 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,5-dimethylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62295739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).