1-(5-methyl-3-pyridinyl)-3-phenoxy-N-propylpropan-1-amine

C18H24N2O — CID 115374230

IUPAC1-(5-methyl-3-pyridinyl)-3-phenoxy-N-propylpropan-1-amine
SMILESCCCNC(CCOc1ccccc1)c1cncc(C)c1
InChIInChI=1S/C18H24N2O/c1-3-10-20-18(16-12-15(2)13-19-14-16)9-11-21-17-7-5-4-6-8-17/h4-8,12-14,18,20H,3,9-11H2,1-2H3
InChIKeyZYWWAOHUNLQYIW-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.90
Rot. Bonds8

About 1-(5-methyl-3-pyridinyl)-3-phenoxy-N-propylpropan-1-amine

1-(5-methyl-3-pyridinyl)-3-phenoxy-N-propylpropan-1-amine (PubChem CID 115374230) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(5-methyl-3-pyridinyl)-3-phenoxy-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(5-methyl-3-pyridinyl)-3-phenoxy-N-propylpropan-1-amine
PubChem CID115374230
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1-(5-methyl-3-pyridinyl)-3-phenoxy-N-propylpropan-1-amine
SMILESCCCNC(CCOc1ccccc1)c1cncc(C)c1
InChIInChI=1S/C18H24N2O/c1-3-10-20-18(16-12-15(2)13-19-14-16)9-11-21-17-7-5-4-6-8-17/h4-8,12-14,18,20H,3,9-11H2,1-2H3
InChIKeyZYWWAOHUNLQYIW-UHFFFAOYSA-N
XLogP3.90
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-methylthiophen-3-yl)-3-phenoxy-N-propylpropan-1-amine
CID 65104437
3-(3-methylphenoxy)-N-propyl-1-pyrazin-2-ylpropan-1-amine
CID 105150138
N-[(4-ethoxyphenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105022903
N-[2-(2,6-difluorophenyl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105022890
1-(1-methylpyrazol-3-yl)-3-phenoxy-N-propylpropan-1-amine
CID 103130748
3-(3-methylphenoxy)-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine
CID 105155679
N-[2-(4-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 115374313
N-[(5-methyl-3-pyridinyl)-(4-propoxyphenyl)methyl]ethanamine
CID 105144285
[1-(3,5-dimethylphenyl)-3-phenoxypropyl]hydrazine
CID 105191519
N-[1-(3,4-dimethylphenyl)-2-phenoxyethyl]propan-1-amine
CID 63416441
[1-(3-methylphenyl)-3-phenoxypropyl]hydrazine
CID 105191420
N-[(5-methyl-3-pyridinyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 115530971

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-3-pyridinyl)-3-phenoxy-N-propylpropan-1-amine?
The IUPAC name of 1-(5-methyl-3-pyridinyl)-3-phenoxy-N-propylpropan-1-amine (CID 115374230) is 1-(5-methyl-3-pyridinyl)-3-phenoxy-N-propylpropan-1-amine.
What is the SMILES notation for 1-(5-methyl-3-pyridinyl)-3-phenoxy-N-propylpropan-1-amine?
The canonical SMILES for 1-(5-methyl-3-pyridinyl)-3-phenoxy-N-propylpropan-1-amine is CCCNC(CCOc1ccccc1)c1cncc(C)c1.
What is the InChIKey of 1-(5-methyl-3-pyridinyl)-3-phenoxy-N-propylpropan-1-amine?
The InChIKey is ZYWWAOHUNLQYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-3-10-20-18(16-12-15(2)13-19-14-16)9-11-21-17-7-5-4-6-8-17/h4-8,12-14,18,20H,3,9-11H2,1-2H3.
What are the key properties of 1-(5-methyl-3-pyridinyl)-3-phenoxy-N-propylpropan-1-amine?
1-(5-methyl-3-pyridinyl)-3-phenoxy-N-propylpropan-1-amine has a molecular weight of 284.40 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-3-pyridinyl)-3-phenoxy-N-propylpropan-1-amine is sourced from PubChem (CID 115374230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).