3-(4-methylphenoxy)-N-(pyridin-4-ylmethyl)propan-1-amine

C16H20N2O — CID 82097706

IUPAC3-(4-methylphenoxy)-N-(pyridin-4-ylmethyl)propan-1-amine
SMILESCc1ccc(OCCCNCc2ccncc2)cc1
InChIInChI=1S/C16H20N2O/c1-14-3-5-16(6-4-14)19-12-2-9-18-13-15-7-10-17-11-8-15/h3-8,10-11,18H,2,9,12-13H2,1H3
InChIKeySOKUTWHBNUJOOQ-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.95
Rot. Bonds7

About 3-(4-methylphenoxy)-N-(pyridin-4-ylmethyl)propan-1-amine

3-(4-methylphenoxy)-N-(pyridin-4-ylmethyl)propan-1-amine (PubChem CID 82097706) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-(4-methylphenoxy)-N-(pyridin-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-(4-methylphenoxy)-N-(pyridin-4-ylmethyl)propan-1-amine
PubChem CID82097706
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name3-(4-methylphenoxy)-N-(pyridin-4-ylmethyl)propan-1-amine
SMILESCc1ccc(OCCCNCc2ccncc2)cc1
InChIInChI=1S/C16H20N2O/c1-14-3-5-16(6-4-14)19-12-2-9-18-13-15-7-10-17-11-8-15/h3-8,10-11,18H,2,9,12-13H2,1H3
InChIKeySOKUTWHBNUJOOQ-UHFFFAOYSA-N
XLogP2.95
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.95
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

4-[2-(4-methylphenoxy)ethyl]pyridine
CID 64763978
1-(4-pentoxyphenyl)-N-(pyridin-4-ylmethyl)methanamine
CID 28670478
2-(4-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]ethanamine
CID 18793139
N,N'-bis(pyridin-4-ylmethyl)pentane-1,5-diamine
CID 101163000
3-(2-methoxyethoxy)-N-(pyridin-4-ylmethyl)propan-1-amine
CID 28720665
3-propan-2-yloxy-N-(pyridin-4-ylmethyl)propan-1-amine;hydrochloride
CID 17206477
3-(4-methylphenoxy)-N-propylpropan-1-amine
CID 29015066
N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]butan-1-amine
CID 17054354
N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]propan-1-amine
CID 23397058
3-[[3-(4-methylphenoxy)propylamino]methyl]benzonitrile
CID 119107049
N-benzyl-3-phenoxypropan-1-amine
CID 13291924
N-[(5-methyl-3-pyridinyl)methyl]-3-phenoxypropan-1-amine
CID 102880836

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenoxy)-N-(pyridin-4-ylmethyl)propan-1-amine?
The IUPAC name of 3-(4-methylphenoxy)-N-(pyridin-4-ylmethyl)propan-1-amine (CID 82097706) is 3-(4-methylphenoxy)-N-(pyridin-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-(4-methylphenoxy)-N-(pyridin-4-ylmethyl)propan-1-amine?
The canonical SMILES for 3-(4-methylphenoxy)-N-(pyridin-4-ylmethyl)propan-1-amine is Cc1ccc(OCCCNCc2ccncc2)cc1.
What is the InChIKey of 3-(4-methylphenoxy)-N-(pyridin-4-ylmethyl)propan-1-amine?
The InChIKey is SOKUTWHBNUJOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-14-3-5-16(6-4-14)19-12-2-9-18-13-15-7-10-17-11-8-15/h3-8,10-11,18H,2,9,12-13H2,1H3.
What are the key properties of 3-(4-methylphenoxy)-N-(pyridin-4-ylmethyl)propan-1-amine?
3-(4-methylphenoxy)-N-(pyridin-4-ylmethyl)propan-1-amine has a molecular weight of 256.35 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenoxy)-N-(pyridin-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 82097706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).