(1S)-1-[2-(pyridin-3-ylmethoxy)phenyl]propan-1-amine

C15H18N2O — CID 30070823

IUPAC(1S)-1-[2-(pyridin-3-ylmethoxy)phenyl]propan-1-amine
SMILESCC[C@H](N)c1ccccc1OCc1cccnc1
InChIInChI=1S/C15H18N2O/c1-2-14(16)13-7-3-4-8-15(13)18-11-12-6-5-9-17-10-12/h3-10,14H,2,11,16H2,1H3/t14-/m0/s1
InChIKeyMWZVGNPBMFFKNR-AWEZNQCLSA-N
MW242.32 g/mol
LogP3.07
Rot. Bonds5

About (1S)-1-[2-(pyridin-3-ylmethoxy)phenyl]propan-1-amine

(1S)-1-[2-(pyridin-3-ylmethoxy)phenyl]propan-1-amine (PubChem CID 30070823) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is (1S)-1-[2-(pyridin-3-ylmethoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-[2-(pyridin-3-ylmethoxy)phenyl]propan-1-amine
PubChem CID30070823
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name(1S)-1-[2-(pyridin-3-ylmethoxy)phenyl]propan-1-amine
SMILESCC[C@H](N)c1ccccc1OCc1cccnc1
InChIInChI=1S/C15H18N2O/c1-2-14(16)13-7-3-4-8-15(13)18-11-12-6-5-9-17-10-12/h3-10,14H,2,11,16H2,1H3/t14-/m0/s1
InChIKeyMWZVGNPBMFFKNR-AWEZNQCLSA-N
XLogP3.07
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-1-[2-(pyridin-3-ylmethoxy)phenyl]propan-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

1-[2-(pyridin-3-ylmethoxy)phenyl]propan-1-amine
CID 16782190
3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 102197893
1-[2-[(3-bromophenyl)methoxy]phenyl]propan-1-amine
CID 60879213
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
1-[2-[(4-methoxyphenyl)methoxy]phenyl]propan-1-amine
CID 60879589
(1S)-1-[2-[(4-methoxyphenyl)methoxy]phenyl]propan-1-amine
CID 78932859
(1R)-1-[2-[(3-methylimidazol-4-yl)methoxy]phenyl]propan-1-amine
CID 66141718
1-[2-(2-pyridin-3-ylethoxy)phenyl]ethanamine
CID 63264533
(1R)-1-[2-(1,2-oxazol-5-ylmethoxy)phenyl]propan-1-amine
CID 55190081
(1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]propan-1-amine
CID 78932860
3-[[2-(1-aminopropyl)phenoxy]methyl]benzonitrile
CID 60879214
(1S)-1-[2-[(2,6-dichlorophenyl)methoxy]phenyl]propan-1-amine
CID 78944066

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(pyridin-3-ylmethoxy)phenyl]propan-1-amine?
The IUPAC name of (1S)-1-[2-(pyridin-3-ylmethoxy)phenyl]propan-1-amine (CID 30070823) is (1S)-1-[2-(pyridin-3-ylmethoxy)phenyl]propan-1-amine.
What is the SMILES notation for (1S)-1-[2-(pyridin-3-ylmethoxy)phenyl]propan-1-amine?
The canonical SMILES for (1S)-1-[2-(pyridin-3-ylmethoxy)phenyl]propan-1-amine is CC[C@H](N)c1ccccc1OCc1cccnc1.
What is the InChIKey of (1S)-1-[2-(pyridin-3-ylmethoxy)phenyl]propan-1-amine?
The InChIKey is MWZVGNPBMFFKNR-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H18N2O/c1-2-14(16)13-7-3-4-8-15(13)18-11-12-6-5-9-17-10-12/h3-10,14H,2,11,16H2,1H3/t14-/m0/s1.
What are the key properties of (1S)-1-[2-(pyridin-3-ylmethoxy)phenyl]propan-1-amine?
(1S)-1-[2-(pyridin-3-ylmethoxy)phenyl]propan-1-amine has a molecular weight of 242.32 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(pyridin-3-ylmethoxy)phenyl]propan-1-amine is sourced from PubChem (CID 30070823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).