N-[(5-methyl-3-pyridinyl)methyl]-3-phenoxypropan-1-amine

C16H20N2O — CID 102880836

IUPACN-[(5-methyl-3-pyridinyl)methyl]-3-phenoxypropan-1-amine
SMILESCc1cncc(CNCCCOc2ccccc2)c1
InChIInChI=1S/C16H20N2O/c1-14-10-15(13-18-11-14)12-17-8-5-9-19-16-6-3-2-4-7-16/h2-4,6-7,10-11,13,17H,5,8-9,12H2,1H3
InChIKeyPHTVJFMCKNYQMX-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.95
Rot. Bonds7

About N-[(5-methyl-3-pyridinyl)methyl]-3-phenoxypropan-1-amine

N-[(5-methyl-3-pyridinyl)methyl]-3-phenoxypropan-1-amine (PubChem CID 102880836) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[(5-methyl-3-pyridinyl)methyl]-3-phenoxypropan-1-amine.

Molecular Properties

Compound NameN-[(5-methyl-3-pyridinyl)methyl]-3-phenoxypropan-1-amine
PubChem CID102880836
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-[(5-methyl-3-pyridinyl)methyl]-3-phenoxypropan-1-amine
SMILESCc1cncc(CNCCCOc2ccccc2)c1
InChIInChI=1S/C16H20N2O/c1-14-10-15(13-18-11-14)12-17-8-5-9-19-16-6-3-2-4-7-16/h2-4,6-7,10-11,13,17H,5,8-9,12H2,1H3
InChIKeyPHTVJFMCKNYQMX-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

N-[(5-methyl-3-pyridinyl)methyl]-3-propoxypropan-1-amine
CID 102881006
N-benzyl-3-phenoxypropan-1-amine
CID 13291924
N-[(5-methyl-2-pyridinyl)methyl]-3-phenoxypropan-1-amine
CID 80708453
2-(3-methoxyphenyl)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 107852234
N-[(5-methyl-3-pyridinyl)methyl]-3-phenylbutan-1-amine
CID 102880849
2-ethoxy-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102880746
N-[2-(3-methylphenyl)ethyl]-3-phenoxypropan-1-amine
CID 62936442
3-(4-methylphenoxy)-N-(pyridin-4-ylmethyl)propan-1-amine
CID 82097706
N-[(5-methyl-3-pyridinyl)methyl]-4-methylsulfanylbutan-1-amine
CID 102881076
4,4,4-trifluoro-N-[(5-methyl-3-pyridinyl)methyl]butan-1-amine
CID 102880995
3-bromo-5-methyl-N-(2-phenoxyethyl)pyridin-2-amine
CID 105366850
4-methyl-2-[(3-phenoxypropylamino)methyl]phenol
CID 63325396

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-3-pyridinyl)methyl]-3-phenoxypropan-1-amine?
The IUPAC name of N-[(5-methyl-3-pyridinyl)methyl]-3-phenoxypropan-1-amine (CID 102880836) is N-[(5-methyl-3-pyridinyl)methyl]-3-phenoxypropan-1-amine.
What is the SMILES notation for N-[(5-methyl-3-pyridinyl)methyl]-3-phenoxypropan-1-amine?
The canonical SMILES for N-[(5-methyl-3-pyridinyl)methyl]-3-phenoxypropan-1-amine is Cc1cncc(CNCCCOc2ccccc2)c1.
What is the InChIKey of N-[(5-methyl-3-pyridinyl)methyl]-3-phenoxypropan-1-amine?
The InChIKey is PHTVJFMCKNYQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-14-10-15(13-18-11-14)12-17-8-5-9-19-16-6-3-2-4-7-16/h2-4,6-7,10-11,13,17H,5,8-9,12H2,1H3.
What are the key properties of N-[(5-methyl-3-pyridinyl)methyl]-3-phenoxypropan-1-amine?
N-[(5-methyl-3-pyridinyl)methyl]-3-phenoxypropan-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 N-[(5-methyl-3-pyridinyl)methyl]-3-phenoxypropan-1-amine is sourced from PubChem (CID 102880836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).