4-methoxy-N-[(1S)-1-pyridin-2-ylethyl]butan-1-amine

C12H20N2O — CID 104647537

IUPAC4-methoxy-N-[(1S)-1-pyridin-2-ylethyl]butan-1-amine
SMILESCOCCCCN[C@@H](C)c1ccccn1
InChIInChI=1S/C12H20N2O/c1-11(12-7-3-4-9-14-12)13-8-5-6-10-15-2/h3-4,7,9,11,13H,5-6,8,10H2,1-2H3/t11-/m0/s1
InChIKeyLMZJJAFHFWWOMS-NSHDSACASA-N
MW208.31 g/mol
LogP2.16
Rot. Bonds7

About 4-methoxy-N-[(1S)-1-pyridin-2-ylethyl]butan-1-amine

4-methoxy-N-[(1S)-1-pyridin-2-ylethyl]butan-1-amine (PubChem CID 104647537) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 4-methoxy-N-[(1S)-1-pyridin-2-ylethyl]butan-1-amine.

Molecular Properties

Compound Name4-methoxy-N-[(1S)-1-pyridin-2-ylethyl]butan-1-amine
PubChem CID104647537
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name4-methoxy-N-[(1S)-1-pyridin-2-ylethyl]butan-1-amine
SMILESCOCCCCN[C@@H](C)c1ccccn1
InChIInChI=1S/C12H20N2O/c1-11(12-7-3-4-9-14-12)13-8-5-6-10-15-2/h3-4,7,9,11,13H,5-6,8,10H2,1-2H3/t11-/m0/s1
InChIKeyLMZJJAFHFWWOMS-NSHDSACASA-N
XLogP2.16
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-methoxy-N-[(1S)-1-pyridin-2-ylethyl]butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-methoxyethoxy)-N-[(1S)-1-pyridin-2-ylethyl]propan-1-amine
CID 28720883
N-[2-(3-methoxypropoxy)ethyl]-1-pyridin-2-ylethanamine
CID 103178569
3-(1-pyridin-2-ylethylamino)propan-1-ol
CID 2772086
(1R)-1-pyridin-2-yl-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 81407500
N'-methyl-N'-propan-2-yl-N-(1-pyridin-2-ylethyl)propane-1,3-diamine
CID 113343834
N-(3-methoxypropyl)-1-pyridin-2-ylbutan-1-amine
CID 115872086
N-(1-pyridin-2-ylethyl)pent-4-yn-1-amine
CID 115872152
(1S)-N-[2-(2-methylpropoxy)ethyl]-1-pyridin-2-ylethanamine
CID 106452331
2-[[(1R)-1-pyridin-2-ylethyl]amino]acetonitrile
CID 81407753
methyl 3-[[(1S)-1-pyridin-2-ylethyl]amino]propanoate
CID 81401680
methyl 3-[[(1R)-1-pyridin-2-ylethyl]amino]propanoate
CID 81407588
4-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]butan-1-amine
CID 104647527

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(1S)-1-pyridin-2-ylethyl]butan-1-amine?
The IUPAC name of 4-methoxy-N-[(1S)-1-pyridin-2-ylethyl]butan-1-amine (CID 104647537) is 4-methoxy-N-[(1S)-1-pyridin-2-ylethyl]butan-1-amine.
What is the SMILES notation for 4-methoxy-N-[(1S)-1-pyridin-2-ylethyl]butan-1-amine?
The canonical SMILES for 4-methoxy-N-[(1S)-1-pyridin-2-ylethyl]butan-1-amine is COCCCCN[C@@H](C)c1ccccn1.
What is the InChIKey of 4-methoxy-N-[(1S)-1-pyridin-2-ylethyl]butan-1-amine?
The InChIKey is LMZJJAFHFWWOMS-NSHDSACASA-N. The full InChI is InChI=1S/C12H20N2O/c1-11(12-7-3-4-9-14-12)13-8-5-6-10-15-2/h3-4,7,9,11,13H,5-6,8,10H2,1-2H3/t11-/m0/s1.
What are the key properties of 4-methoxy-N-[(1S)-1-pyridin-2-ylethyl]butan-1-amine?
4-methoxy-N-[(1S)-1-pyridin-2-ylethyl]butan-1-amine has a molecular weight of 208.31 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(1S)-1-pyridin-2-ylethyl]butan-1-amine is sourced from PubChem (CID 104647537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).