N-[(5-methyl-2-pyridinyl)methyl]-3-phenoxypropan-1-amine

C16H20N2O — CID 80708453

IUPACN-[(5-methyl-2-pyridinyl)methyl]-3-phenoxypropan-1-amine
SMILESCc1ccc(CNCCCOc2ccccc2)nc1
InChIInChI=1S/C16H20N2O/c1-14-8-9-15(18-12-14)13-17-10-5-11-19-16-6-3-2-4-7-16/h2-4,6-9,12,17H,5,10-11,13H2,1H3
InChIKeyUGQVSGXFWCBZFN-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.95
Rot. Bonds7

About N-[(5-methyl-2-pyridinyl)methyl]-3-phenoxypropan-1-amine

N-[(5-methyl-2-pyridinyl)methyl]-3-phenoxypropan-1-amine (PubChem CID 80708453) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[(5-methyl-2-pyridinyl)methyl]-3-phenoxypropan-1-amine.

Molecular Properties

Compound NameN-[(5-methyl-2-pyridinyl)methyl]-3-phenoxypropan-1-amine
PubChem CID80708453
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-[(5-methyl-2-pyridinyl)methyl]-3-phenoxypropan-1-amine
SMILESCc1ccc(CNCCCOc2ccccc2)nc1
InChIInChI=1S/C16H20N2O/c1-14-8-9-15(18-12-14)13-17-10-5-11-19-16-6-3-2-4-7-16/h2-4,6-9,12,17H,5,10-11,13H2,1H3
InChIKeyUGQVSGXFWCBZFN-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

6-[(2-phenoxyethylamino)methyl]pyridin-3-ol
CID 79783259
N-[(5-methyl-2-pyridinyl)methyl]butan-1-amine
CID 80708848
N-[(5-methyl-2-pyridinyl)methyl]hexan-1-amine
CID 80708681
N'-[(5-methyl-2-pyridinyl)methyl]butane-1,4-diamine
CID 81313009
N-[(5-methyl-3-pyridinyl)methyl]-3-phenoxypropan-1-amine
CID 102880836
3-cyclohexyloxy-N-[(5-methyl-2-pyridinyl)methyl]propan-1-amine
CID 80707820
5-methyl-2-(phenoxymethyl)pyridine
CID 123739450
4,4-dimethyl-N-[(5-methyl-2-pyridinyl)methyl]pentan-1-amine
CID 115698997
N-[[5-(2-phenoxyethoxy)-2-pyridinyl]methyl]ethanamine
CID 79775994
N-benzyl-3-phenoxypropan-1-amine
CID 13291924
4-methyl-2-[(3-phenoxypropylamino)methyl]phenol
CID 63325396
3-phenoxy-N-(3-phenoxypropyl)propan-1-amine;hydrochloride
CID 18793133

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-2-pyridinyl)methyl]-3-phenoxypropan-1-amine?
The IUPAC name of N-[(5-methyl-2-pyridinyl)methyl]-3-phenoxypropan-1-amine (CID 80708453) is N-[(5-methyl-2-pyridinyl)methyl]-3-phenoxypropan-1-amine.
What is the SMILES notation for N-[(5-methyl-2-pyridinyl)methyl]-3-phenoxypropan-1-amine?
The canonical SMILES for N-[(5-methyl-2-pyridinyl)methyl]-3-phenoxypropan-1-amine is Cc1ccc(CNCCCOc2ccccc2)nc1.
What is the InChIKey of N-[(5-methyl-2-pyridinyl)methyl]-3-phenoxypropan-1-amine?
The InChIKey is UGQVSGXFWCBZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-14-8-9-15(18-12-14)13-17-10-5-11-19-16-6-3-2-4-7-16/h2-4,6-9,12,17H,5,10-11,13H2,1H3.
What are the key properties of N-[(5-methyl-2-pyridinyl)methyl]-3-phenoxypropan-1-amine?
N-[(5-methyl-2-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-2-pyridinyl)methyl]-3-phenoxypropan-1-amine is sourced from PubChem (CID 80708453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).