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

C16H20N2O — CID 81278633

IUPAC[2-methyl-4-(3-pyridin-4-ylpropoxy)phenyl]methanamine
SMILESCc1cc(OCCCc2ccncc2)ccc1CN
InChIInChI=1S/C16H20N2O/c1-13-11-16(5-4-15(13)12-17)19-10-2-3-14-6-8-18-9-7-14/h4-9,11H,2-3,10,12,17H2,1H3
InChIKeyZYSJOWJDMBHTTI-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.86
Rot. Bonds6

About [2-methyl-4-(3-pyridin-4-ylpropoxy)phenyl]methanamine

[2-methyl-4-(3-pyridin-4-ylpropoxy)phenyl]methanamine (PubChem CID 81278633) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is [2-methyl-4-(3-pyridin-4-ylpropoxy)phenyl]methanamine.

Molecular Properties

Compound Name[2-methyl-4-(3-pyridin-4-ylpropoxy)phenyl]methanamine
PubChem CID81278633
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name[2-methyl-4-(3-pyridin-4-ylpropoxy)phenyl]methanamine
SMILESCc1cc(OCCCc2ccncc2)ccc1CN
InChIInChI=1S/C16H20N2O/c1-13-11-16(5-4-15(13)12-17)19-10-2-3-14-6-8-18-9-7-14/h4-9,11H,2-3,10,12,17H2,1H3
InChIKeyZYSJOWJDMBHTTI-UHFFFAOYSA-N
XLogP2.86
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.86
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
[3-(3-pyridin-4-ylpropoxy)phenyl]methanamine
CID 102814568
[3-methyl-2-(3-pyridin-4-ylpropoxy)phenyl]methanamine
CID 107105932
[6-methyl-4-(3-pyridin-4-ylpropoxy)-3-pyridinyl]methanamine
CID 81254097
[5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]methanamine
CID 113320443
[2-methyl-4-(4-methylpentoxy)phenyl]methanamine
CID 81279223
[2-methyl-4-(2-thiophen-2-ylethoxy)phenyl]methanamine
CID 81278557
2-amino-5-(3-pyridin-4-ylpropoxy)benzamide
CID 61306005
[5-fluoro-2-(3-pyridin-4-ylpropoxymethyl)phenyl]methanamine
CID 63289557
2-amino-4-(3-pyridin-4-ylpropoxy)benzenesulfonamide
CID 79467347
4-[2-(4-methylphenoxy)ethyl]pyridine
CID 64763978
[2-methoxy-5-(3-pyridin-4-ylpropoxymethyl)phenyl]methanamine
CID 65338927

Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-(3-pyridin-4-ylpropoxy)phenyl]methanamine?
The IUPAC name of [2-methyl-4-(3-pyridin-4-ylpropoxy)phenyl]methanamine (CID 81278633) is [2-methyl-4-(3-pyridin-4-ylpropoxy)phenyl]methanamine.
What is the SMILES notation for [2-methyl-4-(3-pyridin-4-ylpropoxy)phenyl]methanamine?
The canonical SMILES for [2-methyl-4-(3-pyridin-4-ylpropoxy)phenyl]methanamine is Cc1cc(OCCCc2ccncc2)ccc1CN.
What is the InChIKey of [2-methyl-4-(3-pyridin-4-ylpropoxy)phenyl]methanamine?
The InChIKey is ZYSJOWJDMBHTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-13-11-16(5-4-15(13)12-17)19-10-2-3-14-6-8-18-9-7-14/h4-9,11H,2-3,10,12,17H2,1H3.
What are the key properties of [2-methyl-4-(3-pyridin-4-ylpropoxy)phenyl]methanamine?
[2-methyl-4-(3-pyridin-4-ylpropoxy)phenyl]methanamine has a molecular weight of 256.35 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-(3-pyridin-4-ylpropoxy)phenyl]methanamine is sourced from PubChem (CID 81278633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).