2-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]-4-methylphenol

C16H24N2O — CID 78959743

IUPAC2-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]-4-methylphenol
SMILESCc1ccc(O)c(CNC2CCN3CCCC3C2)c1
InChIInChI=1S/C16H24N2O/c1-12-4-5-16(19)13(9-12)11-17-14-6-8-18-7-2-3-15(18)10-14/h4-5,9,14-15,17,19H,2-3,6-8,10-11H2,1H3
InChIKeyFFWANYUIQZTHRI-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.42
Rot. Bonds3

About 2-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]-4-methylphenol

2-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]-4-methylphenol (PubChem CID 78959743) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]-4-methylphenol.

Molecular Properties

Compound Name2-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]-4-methylphenol
PubChem CID78959743
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]-4-methylphenol
SMILESCc1ccc(O)c(CNC2CCN3CCCC3C2)c1
InChIInChI=1S/C16H24N2O/c1-12-4-5-16(19)13(9-12)11-17-14-6-8-18-7-2-3-15(18)10-14/h4-5,9,14-15,17,19H,2-3,6-8,10-11H2,1H3
InChIKeyFFWANYUIQZTHRI-UHFFFAOYSA-N
XLogP2.42
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]-4-methylphenol 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

N-[(2-chloro-4-methylphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 106863004
N-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 78916571
2-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]-6-bromophenol
CID 78916565
(7R,8aS)-N-[[2-[ethyl(methyl)amino]phenyl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 124855746
1-[4-[(2-hydroxy-5-methylphenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 63324768
4-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]-3-bromobenzoic acid
CID 103260544
N-[(1-methylindol-3-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 107236024
N-[(2-propan-2-yloxyphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 112728521
N-[(2,3-dimethoxyphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 112728549
N-[(3-bromo-4-chlorophenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 83235904
4-chloro-2-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]phenol
CID 79032255
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 112549288

Frequently Asked Questions

What is the IUPAC name of 2-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]-4-methylphenol?
The IUPAC name of 2-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]-4-methylphenol (CID 78959743) is 2-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]-4-methylphenol.
What is the SMILES notation for 2-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]-4-methylphenol?
The canonical SMILES for 2-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]-4-methylphenol is Cc1ccc(O)c(CNC2CCN3CCCC3C2)c1.
What is the InChIKey of 2-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]-4-methylphenol?
The InChIKey is FFWANYUIQZTHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-4-5-16(19)13(9-12)11-17-14-6-8-18-7-2-3-15(18)10-14/h4-5,9,14-15,17,19H,2-3,6-8,10-11H2,1H3.
What are the key properties of 2-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]-4-methylphenol?
2-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]-4-methylphenol has a molecular weight of 260.38 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]-4-methylphenol is sourced from PubChem (CID 78959743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).