[5-(2-propoxyphenyl)-3-pyridinyl]methanamine

C15H18N2O — CID 113469771

IUPAC[5-(2-propoxyphenyl)-3-pyridinyl]methanamine
SMILESCCCOc1ccccc1-c1cncc(CN)c1
InChIInChI=1S/C15H18N2O/c1-2-7-18-15-6-4-3-5-14(15)13-8-12(9-16)10-17-11-13/h3-6,8,10-11H,2,7,9,16H2,1H3
InChIKeyVOSMGOOFEKVTRX-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.00
Rot. Bonds5

About [5-(2-propoxyphenyl)-3-pyridinyl]methanamine

[5-(2-propoxyphenyl)-3-pyridinyl]methanamine (PubChem CID 113469771) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is [5-(2-propoxyphenyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-(2-propoxyphenyl)-3-pyridinyl]methanamine
PubChem CID113469771
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name[5-(2-propoxyphenyl)-3-pyridinyl]methanamine
SMILESCCCOc1ccccc1-c1cncc(CN)c1
InChIInChI=1S/C15H18N2O/c1-2-7-18-15-6-4-3-5-14(15)13-8-12(9-16)10-17-11-13/h3-6,8,10-11H,2,7,9,16H2,1H3
InChIKeyVOSMGOOFEKVTRX-UHFFFAOYSA-N
XLogP3.00
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(2-methoxyphenyl)-3-pyridinyl]methanamine;dihydrochloride
CID 171365623
3-[2-(2-methoxyethoxy)phenyl]pyridine
CID 141192201
5-(2-propoxyphenyl)pyridine-2-carboxylic acid
CID 104660736
N-methyl-N-[2-methyl-5-(2-propoxyphenyl)-3-pyridinyl]formamide
CID 54539181
[4-[(2-propoxyphenoxy)methyl]-2-pyridinyl]methanamine
CID 63888254
2-N-cyclopropyl-4-N-[5-(2-propoxyphenyl)-3-pyridinyl]pyridine-2,4-dicarboxamide
CID 141452889
2-(2-pyrimidin-5-ylphenoxy)ethanol
CID 10560658
[3,5-difluoro-4-(2-propoxyphenoxy)phenyl]methanamine
CID 63077707
2-(3-phenyl-4-propoxyphenyl)ethanamine
CID 170888303
5-(2-propoxyphenoxy)pyridin-3-amine
CID 113424320
2-[3-(2-propoxyphenyl)-1H-pyrazol-5-yl]aniline
CID 54852189
4-(2-butoxyphenyl)pyridazine
CID 173145819

Frequently Asked Questions

What is the IUPAC name of [5-(2-propoxyphenyl)-3-pyridinyl]methanamine?
The IUPAC name of [5-(2-propoxyphenyl)-3-pyridinyl]methanamine (CID 113469771) is [5-(2-propoxyphenyl)-3-pyridinyl]methanamine.
What is the SMILES notation for [5-(2-propoxyphenyl)-3-pyridinyl]methanamine?
The canonical SMILES for [5-(2-propoxyphenyl)-3-pyridinyl]methanamine is CCCOc1ccccc1-c1cncc(CN)c1.
What is the InChIKey of [5-(2-propoxyphenyl)-3-pyridinyl]methanamine?
The InChIKey is VOSMGOOFEKVTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-2-7-18-15-6-4-3-5-14(15)13-8-12(9-16)10-17-11-13/h3-6,8,10-11H,2,7,9,16H2,1H3.
What are the key properties of [5-(2-propoxyphenyl)-3-pyridinyl]methanamine?
[5-(2-propoxyphenyl)-3-pyridinyl]methanamine has a molecular weight of 242.32 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-propoxyphenyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 113469771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).