N-[[6-(4-ethoxyphenyl)-2-methyl-3-pyridinyl]methyl]propan-1-amine

C18H24N2O — CID 82453137

IUPACN-[[6-(4-ethoxyphenyl)-2-methyl-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-c2ccc(OCC)cc2)nc1C
InChIInChI=1S/C18H24N2O/c1-4-12-19-13-16-8-11-18(20-14(16)3)15-6-9-17(10-7-15)21-5-2/h6-11,19H,4-5,12-13H2,1-3H3
InChIKeyVRHJWVJXOMQTCT-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.96
Rot. Bonds7

About N-[[6-(4-ethoxyphenyl)-2-methyl-3-pyridinyl]methyl]propan-1-amine

N-[[6-(4-ethoxyphenyl)-2-methyl-3-pyridinyl]methyl]propan-1-amine (PubChem CID 82453137) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[[6-(4-ethoxyphenyl)-2-methyl-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-(4-ethoxyphenyl)-2-methyl-3-pyridinyl]methyl]propan-1-amine
PubChem CID82453137
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[[6-(4-ethoxyphenyl)-2-methyl-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-c2ccc(OCC)cc2)nc1C
InChIInChI=1S/C18H24N2O/c1-4-12-19-13-16-8-11-18(20-14(16)3)15-6-9-17(10-7-15)21-5-2/h6-11,19H,4-5,12-13H2,1-3H3
InChIKeyVRHJWVJXOMQTCT-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[6-(4-ethoxyphenyl)-2-methyl-3-pyridinyl]methyl]ethanamine
CID 82453135
N-[[6-(4-methoxyphenyl)-2-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 82453109
N-[[6-(2,2-difluoroethoxy)-2-methyl-3-pyridinyl]methyl]propan-1-amine
CID 82007221
6-(4-ethoxyphenyl)-2-methylpyridine-3-carbothioamide
CID 82453144
ethyl 6-(4-ethoxyphenyl)-2-methylpyridine-3-carboxylate
CID 115917504
N-[[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]methyl]propan-1-amine
CID 82527899
N-[[2-(4-methoxyphenoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83187491
4-ethoxy-2-(propylaminomethyl)phenol;hydrochloride
CID 115602867
N-[2-(4-ethoxyphenoxy)ethyl]propan-1-amine
CID 28879106
N-[[2-(4-bromophenoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83189213
N-[[2-(2,2-difluoroethoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83195410
1-[4-(4-ethoxyphenyl)pyrimidin-2-yl]-N-methylmethanamine
CID 116897472

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-ethoxyphenyl)-2-methyl-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[6-(4-ethoxyphenyl)-2-methyl-3-pyridinyl]methyl]propan-1-amine (CID 82453137) is N-[[6-(4-ethoxyphenyl)-2-methyl-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-(4-ethoxyphenyl)-2-methyl-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-(4-ethoxyphenyl)-2-methyl-3-pyridinyl]methyl]propan-1-amine is CCCNCc1ccc(-c2ccc(OCC)cc2)nc1C.
What is the InChIKey of N-[[6-(4-ethoxyphenyl)-2-methyl-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is VRHJWVJXOMQTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-4-12-19-13-16-8-11-18(20-14(16)3)15-6-9-17(10-7-15)21-5-2/h6-11,19H,4-5,12-13H2,1-3H3.
What are the key properties of N-[[6-(4-ethoxyphenyl)-2-methyl-3-pyridinyl]methyl]propan-1-amine?
N-[[6-(4-ethoxyphenyl)-2-methyl-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 284.40 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-ethoxyphenyl)-2-methyl-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 82453137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).