N-[2-[(3-methyl-2-pyridinyl)methoxy]ethyl]propan-2-amine

C12H20N2O — CID 112650766

IUPACN-[2-[(3-methyl-2-pyridinyl)methoxy]ethyl]propan-2-amine
SMILESCc1cccnc1COCCNC(C)C
InChIInChI=1S/C12H20N2O/c1-10(2)13-7-8-15-9-12-11(3)5-4-6-14-12/h4-6,10,13H,7-9H2,1-3H3
InChIKeyBNHTXFOAXUACNK-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.90
Rot. Bonds6

About N-[2-[(3-methyl-2-pyridinyl)methoxy]ethyl]propan-2-amine

N-[2-[(3-methyl-2-pyridinyl)methoxy]ethyl]propan-2-amine (PubChem CID 112650766) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is N-[2-[(3-methyl-2-pyridinyl)methoxy]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[(3-methyl-2-pyridinyl)methoxy]ethyl]propan-2-amine
PubChem CID112650766
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC NameN-[2-[(3-methyl-2-pyridinyl)methoxy]ethyl]propan-2-amine
SMILESCc1cccnc1COCCNC(C)C
InChIInChI=1S/C12H20N2O/c1-10(2)13-7-8-15-9-12-11(3)5-4-6-14-12/h4-6,10,13H,7-9H2,1-3H3
InChIKeyBNHTXFOAXUACNK-UHFFFAOYSA-N
XLogP1.90
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.90
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-[(3-methyl-2-pyridinyl)methoxymethyl]pyridine
CID 142776988
N-[(3-methyl-2-pyridinyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide
CID 63309364
4-[2-(propan-2-ylamino)ethoxymethyl]pyridine-2-carbonitrile
CID 63881182
3-methyl-2-[(2-propan-2-ylphenoxy)methyl]pyridine
CID 112651495
N-[2-[(5-fluoro-2-methylphenyl)methoxy]ethyl]propan-2-amine
CID 105372265
N-ethyl-1-[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine
CID 115981835
N-(2-quinolin-8-yloxyethyl)propan-2-amine
CID 29015226
[2-[(3-methyl-2-pyridinyl)methoxymethyl]cyclohexyl]methanamine
CID 112650781
methyl 2-[(3-methyl-2-pyridinyl)methylamino]propanoate
CID 63305760
3-methyl-2-[(2S)-2-(2-methylphenyl)propyl]pyridine
CID 165410451
3-methyl-2-[(3-methyl-2-pyridinyl)methylamino]butan-1-ol
CID 112650240
N,3-diethyl-1-(3-methyl-2-pyridinyl)pentan-2-amine
CID 66446885

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methyl-2-pyridinyl)methoxy]ethyl]propan-2-amine?
The IUPAC name of N-[2-[(3-methyl-2-pyridinyl)methoxy]ethyl]propan-2-amine (CID 112650766) is N-[2-[(3-methyl-2-pyridinyl)methoxy]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[(3-methyl-2-pyridinyl)methoxy]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[(3-methyl-2-pyridinyl)methoxy]ethyl]propan-2-amine is Cc1cccnc1COCCNC(C)C.
What is the InChIKey of N-[2-[(3-methyl-2-pyridinyl)methoxy]ethyl]propan-2-amine?
The InChIKey is BNHTXFOAXUACNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-10(2)13-7-8-15-9-12-11(3)5-4-6-14-12/h4-6,10,13H,7-9H2,1-3H3.
What are the key properties of N-[2-[(3-methyl-2-pyridinyl)methoxy]ethyl]propan-2-amine?
N-[2-[(3-methyl-2-pyridinyl)methoxy]ethyl]propan-2-amine has a molecular weight of 208.31 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methyl-2-pyridinyl)methoxy]ethyl]propan-2-amine is sourced from PubChem (CID 112650766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).