N-[[2-(2-methyl-5-propan-2-ylphenoxy)-4-pyridinyl]methyl]ethanamine

C18H24N2O — CID 62323489

IUPACN-[[2-(2-methyl-5-propan-2-ylphenoxy)-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccnc(Oc2cc(C(C)C)ccc2C)c1
InChIInChI=1S/C18H24N2O/c1-5-19-12-15-8-9-20-18(10-15)21-17-11-16(13(2)3)7-6-14(17)4/h6-11,13,19H,5,12H2,1-4H3
InChIKeyKJKNBJIVQNYKIQ-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.42
Rot. Bonds6

About N-[[2-(2-methyl-5-propan-2-ylphenoxy)-4-pyridinyl]methyl]ethanamine

N-[[2-(2-methyl-5-propan-2-ylphenoxy)-4-pyridinyl]methyl]ethanamine (PubChem CID 62323489) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[[2-(2-methyl-5-propan-2-ylphenoxy)-4-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-methyl-5-propan-2-ylphenoxy)-4-pyridinyl]methyl]ethanamine
PubChem CID62323489
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[[2-(2-methyl-5-propan-2-ylphenoxy)-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccnc(Oc2cc(C(C)C)ccc2C)c1
InChIInChI=1S/C18H24N2O/c1-5-19-12-15-8-9-20-18(10-15)21-17-11-16(13(2)3)7-6-14(17)4/h6-11,13,19H,5,12H2,1-4H3
InChIKeyKJKNBJIVQNYKIQ-UHFFFAOYSA-N
XLogP4.42
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 ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-(2-methyl-5-propan-2-ylphenoxy)-4-pyridinyl]methyl]ethanamine 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-[[2-(2,3-dimethylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 62297631
N-[[4-methyl-3-(4-propan-2-ylphenoxy)phenyl]methyl]ethanamine
CID 105406594
N-[[2-(4-chloro-2-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 62321836
N-[[2-(4-bromo-2-propan-2-ylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 115402661
N-[[2-(2-chlorophenoxy)-4-pyridinyl]methyl]ethanamine
CID 62297828
N-[[2-(2,5-difluorophenoxy)-4-pyridinyl]methyl]ethanamine
CID 63272898
N-[[2-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methyl]ethanamine
CID 104708297
N-[[2-(2,5-dichlorophenoxy)-4-pyridinyl]methyl]ethanamine
CID 62297790
2-chloro-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidine
CID 62338137
[6-(2-methyl-5-propan-2-ylphenoxy)-3-pyridinyl]methanol
CID 61255694
4-fluoro-6-(2-methyl-5-propan-2-ylphenoxy)pyrimidine
CID 113305641
[6-(2-methyl-5-propan-2-ylphenoxy)-3-pyridinyl]methanamine
CID 54909715

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methyl-5-propan-2-ylphenoxy)-4-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-methyl-5-propan-2-ylphenoxy)-4-pyridinyl]methyl]ethanamine (CID 62323489) is N-[[2-(2-methyl-5-propan-2-ylphenoxy)-4-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-methyl-5-propan-2-ylphenoxy)-4-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-methyl-5-propan-2-ylphenoxy)-4-pyridinyl]methyl]ethanamine is CCNCc1ccnc(Oc2cc(C(C)C)ccc2C)c1.
What is the InChIKey of N-[[2-(2-methyl-5-propan-2-ylphenoxy)-4-pyridinyl]methyl]ethanamine?
The InChIKey is KJKNBJIVQNYKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-5-19-12-15-8-9-20-18(10-15)21-17-11-16(13(2)3)7-6-14(17)4/h6-11,13,19H,5,12H2,1-4H3.
What are the key properties of N-[[2-(2-methyl-5-propan-2-ylphenoxy)-4-pyridinyl]methyl]ethanamine?
N-[[2-(2-methyl-5-propan-2-ylphenoxy)-4-pyridinyl]methyl]ethanamine has a molecular weight of 284.40 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methyl-5-propan-2-ylphenoxy)-4-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 62323489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).