[3-(3-pyridin-4-ylpropoxy)phenyl]methanamine

C15H18N2O — CID 102814568

IUPAC[3-(3-pyridin-4-ylpropoxy)phenyl]methanamine
SMILESNCc1cccc(OCCCc2ccncc2)c1
InChIInChI=1S/C15H18N2O/c16-12-14-3-1-5-15(11-14)18-10-2-4-13-6-8-17-9-7-13/h1,3,5-9,11H,2,4,10,12,16H2
InChIKeyNWOQOIVYSUFALI-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.55
Rot. Bonds6

About [3-(3-pyridin-4-ylpropoxy)phenyl]methanamine

[3-(3-pyridin-4-ylpropoxy)phenyl]methanamine (PubChem CID 102814568) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is [3-(3-pyridin-4-ylpropoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-(3-pyridin-4-ylpropoxy)phenyl]methanamine
PubChem CID102814568
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name[3-(3-pyridin-4-ylpropoxy)phenyl]methanamine
SMILESNCc1cccc(OCCCc2ccncc2)c1
InChIInChI=1S/C15H18N2O/c16-12-14-3-1-5-15(11-14)18-10-2-4-13-6-8-17-9-7-13/h1,3,5-9,11H,2,4,10,12,16H2
InChIKeyNWOQOIVYSUFALI-UHFFFAOYSA-N
XLogP2.55
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.55
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

[2-chloro-4-(3-pyridin-4-ylpropoxy)phenyl]methanamine
CID 62945709
[2-methyl-4-(3-pyridin-4-ylpropoxy)phenyl]methanamine
CID 81278633
[5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]methanamine
CID 113320443
2-[3-(aminomethyl)phenoxy]ethanol
CID 21465373
5-[3-(aminomethyl)phenoxy]pentan-1-ol
CID 62228589
[3-[5-[3-(aminomethyl)phenyl]peroxypentoxy]phenyl]methanamine
CID 22002116
1-[3-(2-pyridin-4-ylethoxy)phenyl]butan-2-amine
CID 60907126
4-(5-phenoxypentyl)pyridine
CID 117060417
[3-[3-(4-fluorophenoxy)propoxy]phenyl]methanamine
CID 43254100
[3-(3-ethoxypropoxy)phenyl]methanamine
CID 43253998
4-[2-(3-methylphenoxy)ethyl]pyridine
CID 64765282
[3-[2-(2-phenoxyethoxy)ethoxy]phenyl]methanamine
CID 43254185

Frequently Asked Questions

What is the IUPAC name of [3-(3-pyridin-4-ylpropoxy)phenyl]methanamine?
The IUPAC name of [3-(3-pyridin-4-ylpropoxy)phenyl]methanamine (CID 102814568) is [3-(3-pyridin-4-ylpropoxy)phenyl]methanamine.
What is the SMILES notation for [3-(3-pyridin-4-ylpropoxy)phenyl]methanamine?
The canonical SMILES for [3-(3-pyridin-4-ylpropoxy)phenyl]methanamine is NCc1cccc(OCCCc2ccncc2)c1.
What is the InChIKey of [3-(3-pyridin-4-ylpropoxy)phenyl]methanamine?
The InChIKey is NWOQOIVYSUFALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c16-12-14-3-1-5-15(11-14)18-10-2-4-13-6-8-17-9-7-13/h1,3,5-9,11H,2,4,10,12,16H2.
What are the key properties of [3-(3-pyridin-4-ylpropoxy)phenyl]methanamine?
[3-(3-pyridin-4-ylpropoxy)phenyl]methanamine has a molecular weight of 242.32 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-pyridin-4-ylpropoxy)phenyl]methanamine is sourced from PubChem (CID 102814568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).