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

C16H20N2O — CID 107105932

IUPAC[3-methyl-2-(3-pyridin-4-ylpropoxy)phenyl]methanamine
SMILESCc1cccc(CN)c1OCCCc1ccncc1
InChIInChI=1S/C16H20N2O/c1-13-4-2-6-15(12-17)16(13)19-11-3-5-14-7-9-18-10-8-14/h2,4,6-10H,3,5,11-12,17H2,1H3
InChIKeyUNRYPBGCMIQJLR-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.86
Rot. Bonds6

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

[3-methyl-2-(3-pyridin-4-ylpropoxy)phenyl]methanamine (PubChem CID 107105932) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is [3-methyl-2-(3-pyridin-4-ylpropoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-methyl-2-(3-pyridin-4-ylpropoxy)phenyl]methanamine
PubChem CID107105932
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name[3-methyl-2-(3-pyridin-4-ylpropoxy)phenyl]methanamine
SMILESCc1cccc(CN)c1OCCCc1ccncc1
InChIInChI=1S/C16H20N2O/c1-13-4-2-6-15(12-17)16(13)19-11-3-5-14-7-9-18-10-8-14/h2,4,6-10H,3,5,11-12,17H2,1H3
InChIKeyUNRYPBGCMIQJLR-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

[3-methyl-2-(2-phenylethoxy)phenyl]methanamine
CID 112607242
[2-(3-methoxypropoxy)-3-methylphenyl]methanamine
CID 112607496
[2-methyl-4-(3-pyridin-4-ylpropoxy)phenyl]methanamine
CID 81278633
(2-decoxy-3-methylphenyl)methanamine
CID 115951875
2-[3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethanamine
CID 112614730
[6-methyl-4-(3-pyridin-4-ylpropoxy)-3-pyridinyl]methanamine
CID 81254097
1-[3-methyl-2-(3-phenylpropoxy)phenyl]propan-2-amine
CID 115958003
[3-(3-pyridin-4-ylpropoxy)phenyl]methanamine
CID 102814568
[3-methyl-2-(4-phenylbutoxy)phenyl]methanol
CID 114333944
1-(bromomethyl)-3-methyl-2-(4-phenylbutoxy)benzene
CID 114334011
[5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]methanamine
CID 113320443
2-[2-(4-methoxybutoxy)-3-methylphenyl]ethanamine
CID 104648854

Frequently Asked Questions

What is the IUPAC name of [3-methyl-2-(3-pyridin-4-ylpropoxy)phenyl]methanamine?
The IUPAC name of [3-methyl-2-(3-pyridin-4-ylpropoxy)phenyl]methanamine (CID 107105932) is [3-methyl-2-(3-pyridin-4-ylpropoxy)phenyl]methanamine.
What is the SMILES notation for [3-methyl-2-(3-pyridin-4-ylpropoxy)phenyl]methanamine?
The canonical SMILES for [3-methyl-2-(3-pyridin-4-ylpropoxy)phenyl]methanamine is Cc1cccc(CN)c1OCCCc1ccncc1.
What is the InChIKey of [3-methyl-2-(3-pyridin-4-ylpropoxy)phenyl]methanamine?
The InChIKey is UNRYPBGCMIQJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-13-4-2-6-15(12-17)16(13)19-11-3-5-14-7-9-18-10-8-14/h2,4,6-10H,3,5,11-12,17H2,1H3.
What are the key properties of [3-methyl-2-(3-pyridin-4-ylpropoxy)phenyl]methanamine?
[3-methyl-2-(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 [3-methyl-2-(3-pyridin-4-ylpropoxy)phenyl]methanamine is sourced from PubChem (CID 107105932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).