N-[[4-(3-ethylphenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-amine

C18H24N2O — CID 81255097

IUPACN-[[4-(3-ethylphenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-amine
SMILESCCc1cccc(Oc2cc(C)ncc2CNC(C)C)c1
InChIInChI=1S/C18H24N2O/c1-5-15-7-6-8-17(10-15)21-18-9-14(4)20-12-16(18)11-19-13(2)3/h6-10,12-13,19H,5,11H2,1-4H3
InChIKeyKSUIDUYEVXIVKM-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.24
Rot. Bonds6

About N-[[4-(3-ethylphenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-amine

N-[[4-(3-ethylphenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-amine (PubChem CID 81255097) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[[4-(3-ethylphenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(3-ethylphenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-amine
PubChem CID81255097
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[[4-(3-ethylphenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-amine
SMILESCCc1cccc(Oc2cc(C)ncc2CNC(C)C)c1
InChIInChI=1S/C18H24N2O/c1-5-15-7-6-8-17(10-15)21-18-9-14(4)20-12-16(18)11-19-13(2)3/h6-10,12-13,19H,5,11H2,1-4H3
InChIKeyKSUIDUYEVXIVKM-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-(3-ethylphenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-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

[4-(3-ethylphenoxy)-6-methyl-3-pyridinyl]methanamine
CID 81255400
N-[[3-(3-ethylphenoxy)phenyl]methyl]propan-2-amine
CID 63943086
N-[[4-(4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-amine
CID 81250922
N-[[4-[(5-bromo-3-pyridinyl)oxy]-6-methyl-3-pyridinyl]methyl]propan-2-amine
CID 81251108
N-[[4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-amine
CID 81253500
N-[[3-(2-methylphenoxy)phenyl]methyl]propan-2-amine
CID 63942707
N-[[4-(3-methoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 81250914
[6-methyl-4-(3-propan-2-ylphenoxy)-3-pyridinyl]methanamine
CID 81251268
N-[[6-methyl-4-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-2-amine
CID 81250262
N-[[2-(3-methylphenoxy)phenyl]methyl]propan-2-amine
CID 43283112
N-[(3-pyrimidin-2-yloxyphenyl)methyl]propan-2-amine;hydrochloride
CID 17213643
N-[[4-(3,4-dichlorophenoxy)-6-methyl-3-pyridinyl]methyl]ethanamine
CID 81251160

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-ethylphenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(3-ethylphenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-amine (CID 81255097) is N-[[4-(3-ethylphenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(3-ethylphenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(3-ethylphenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-amine is CCc1cccc(Oc2cc(C)ncc2CNC(C)C)c1.
What is the InChIKey of N-[[4-(3-ethylphenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is KSUIDUYEVXIVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-5-15-7-6-8-17(10-15)21-18-9-14(4)20-12-16(18)11-19-13(2)3/h6-10,12-13,19H,5,11H2,1-4H3.
What are the key properties of N-[[4-(3-ethylphenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-amine?
N-[[4-(3-ethylphenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-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-(3-ethylphenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 81255097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).