(1S)-1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]propan-1-amine

C16H24N2O — CID 104921336

IUPAC(1S)-1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]propan-1-amine
SMILESCC[C@H](N)c1ccccc1N1CC=C(COC)CC1
InChIInChI=1S/C16H24N2O/c1-3-15(17)14-6-4-5-7-16(14)18-10-8-13(9-11-18)12-19-2/h4-8,15H,3,9-12,17H2,1-2H3/t15-/m0/s1
InChIKeyZJHQZCTYXUQYMA-HNNXBMFYSA-N
MW260.38 g/mol
LogP2.88
Rot. Bonds5

About (1S)-1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]propan-1-amine

(1S)-1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]propan-1-amine (PubChem CID 104921336) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (1S)-1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]propan-1-amine
PubChem CID104921336
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(1S)-1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]propan-1-amine
SMILESCC[C@H](N)c1ccccc1N1CC=C(COC)CC1
InChIInChI=1S/C16H24N2O/c1-3-15(17)14-6-4-5-7-16(14)18-10-8-13(9-11-18)12-19-2/h4-8,15H,3,9-12,17H2,1-2H3/t15-/m0/s1
InChIKeyZJHQZCTYXUQYMA-HNNXBMFYSA-N
XLogP2.88
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]propan-1-amine
CID 114490083
1-[2-(4-ethylpiperazin-1-yl)phenyl]propan-1-amine
CID 112677803
(1S)-1-[2-(azepan-1-yl)phenyl]propan-1-amine
CID 103958428
1-[2-[4-(methoxymethyl)piperidin-1-yl]phenyl]propan-1-amine
CID 112678164
(1R)-1-[2-fluoro-6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanamine
CID 104921351
(1R)-1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]ethanamine
CID 114056413
1-[5-bromo-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]-N-ethylethanamine
CID 114410466
(1R)-1-[2-(8-azaspiro[4.5]decan-8-yl)phenyl]propan-1-amine
CID 103958889
1-[2-[(1S)-1-aminopropyl]phenyl]-4-methylpiperidin-4-ol
CID 103959062
(1S)-1-[2-(3,3-dimethylpyrrolidin-1-yl)phenyl]propan-1-amine
CID 103959036
1-[2-(4-cyclopropylpiperazin-1-yl)phenyl]propan-1-amine
CID 112677997
1-[5-bromo-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]-N-methylethanamine
CID 114410467

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]propan-1-amine?
The IUPAC name of (1S)-1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]propan-1-amine (CID 104921336) is (1S)-1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]propan-1-amine.
What is the SMILES notation for (1S)-1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]propan-1-amine?
The canonical SMILES for (1S)-1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]propan-1-amine is CC[C@H](N)c1ccccc1N1CC=C(COC)CC1.
What is the InChIKey of (1S)-1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]propan-1-amine?
The InChIKey is ZJHQZCTYXUQYMA-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-15(17)14-6-4-5-7-16(14)18-10-8-13(9-11-18)12-19-2/h4-8,15H,3,9-12,17H2,1-2H3/t15-/m0/s1.
What are the key properties of (1S)-1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]propan-1-amine?
(1S)-1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]propan-1-amine has a molecular weight of 260.38 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]propan-1-amine is sourced from PubChem (CID 104921336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).