N-[[2-(4-butan-2-ylphenoxy)-3-pyridinyl]methyl]ethanamine

C18H24N2O — CID 107668187

IUPACN-[[2-(4-butan-2-ylphenoxy)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccnc1Oc1ccc(C(C)CC)cc1
InChIInChI=1S/C18H24N2O/c1-4-14(3)15-8-10-17(11-9-15)21-18-16(13-19-5-2)7-6-12-20-18/h6-12,14,19H,4-5,13H2,1-3H3
InChIKeyDBCYMSAZKUODNI-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.50
Rot. Bonds7

About N-[[2-(4-butan-2-ylphenoxy)-3-pyridinyl]methyl]ethanamine

N-[[2-(4-butan-2-ylphenoxy)-3-pyridinyl]methyl]ethanamine (PubChem CID 107668187) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[[2-(4-butan-2-ylphenoxy)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(4-butan-2-ylphenoxy)-3-pyridinyl]methyl]ethanamine
PubChem CID107668187
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[[2-(4-butan-2-ylphenoxy)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccnc1Oc1ccc(C(C)CC)cc1
InChIInChI=1S/C18H24N2O/c1-4-14(3)15-8-10-17(11-9-15)21-18-16(13-19-5-2)7-6-12-20-18/h6-12,14,19H,4-5,13H2,1-3H3
InChIKeyDBCYMSAZKUODNI-UHFFFAOYSA-N
XLogP4.50
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-(4-butan-2-ylphenoxy)-3-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-(3,4-dimethylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 62297843
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61373670
N-[[2-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 62323648
N-[[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-3-pyridinyl]methyl]ethanamine
CID 62323863
N-[[2-(4-ethoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62297086
N-[[3-fluoro-2-(4-propan-2-ylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105391100
2-(4-butan-2-ylphenoxy)pyridine-3-carboximidamide
CID 107665100
N-[(2-phenoxy-3-pyridinyl)methyl]propan-1-amine
CID 62295599
N-[(2-naphthalen-1-yloxy-3-pyridinyl)methyl]ethanamine
CID 62322003
[3-(4-butan-2-ylphenoxy)pyrazin-2-yl]methanamine
CID 107663628
N-[2-[[3-(ethylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 115505728
N-[[2-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]ethanamine
CID 62296366

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-butan-2-ylphenoxy)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[2-(4-butan-2-ylphenoxy)-3-pyridinyl]methyl]ethanamine (CID 107668187) is N-[[2-(4-butan-2-ylphenoxy)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(4-butan-2-ylphenoxy)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(4-butan-2-ylphenoxy)-3-pyridinyl]methyl]ethanamine is CCNCc1cccnc1Oc1ccc(C(C)CC)cc1.
What is the InChIKey of N-[[2-(4-butan-2-ylphenoxy)-3-pyridinyl]methyl]ethanamine?
The InChIKey is DBCYMSAZKUODNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-4-14(3)15-8-10-17(11-9-15)21-18-16(13-19-5-2)7-6-12-20-18/h6-12,14,19H,4-5,13H2,1-3H3.
What are the key properties of N-[[2-(4-butan-2-ylphenoxy)-3-pyridinyl]methyl]ethanamine?
N-[[2-(4-butan-2-ylphenoxy)-3-pyridinyl]methyl]ethanamine has a molecular weight of 284.40 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-butan-2-ylphenoxy)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 107668187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).