[3-[[(4-iodophenyl)methylamino]methyl]phenyl]methanol

C15H16INO — CID 107230485

IUPAC[3-[[(4-iodophenyl)methylamino]methyl]phenyl]methanol
SMILESOCc1cccc(CNCc2ccc(I)cc2)c1
InChIInChI=1S/C15H16INO/c16-15-6-4-12(5-7-15)9-17-10-13-2-1-3-14(8-13)11-18/h1-8,17-18H,9-11H2
InChIKeyXVHMSFHMSCHTGI-UHFFFAOYSA-N
MW353.20 g/mol
LogP3.07
Rot. Bonds5

About [3-[[(4-iodophenyl)methylamino]methyl]phenyl]methanol

[3-[[(4-iodophenyl)methylamino]methyl]phenyl]methanol (PubChem CID 107230485) has the molecular formula C15H16INO and a molecular weight of 353.20 g/mol. Its IUPAC name is [3-[[(4-iodophenyl)methylamino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[[(4-iodophenyl)methylamino]methyl]phenyl]methanol
PubChem CID107230485
Molecular FormulaC15H16INO
Molecular Weight353.20 g/mol
Exact Mass353.03
IUPAC Name[3-[[(4-iodophenyl)methylamino]methyl]phenyl]methanol
SMILESOCc1cccc(CNCc2ccc(I)cc2)c1
InChIInChI=1S/C15H16INO/c16-15-6-4-12(5-7-15)9-17-10-13-2-1-3-14(8-13)11-18/h1-8,17-18H,9-11H2
InChIKeyXVHMSFHMSCHTGI-UHFFFAOYSA-N
XLogP3.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.20
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3-[[(4-methylsulfanylphenyl)methylamino]methyl]phenyl]methanol
CID 103648640
[3-[[(4-ethoxyphenyl)methylamino]methyl]phenyl]methanol
CID 103648633
2-fluoro-5-[[[3-(hydroxymethyl)phenyl]methylamino]methyl]benzonitrile
CID 103860002
3-[[3-(hydroxymethyl)phenyl]methylamino]propane-1,2-diol
CID 107230520
1-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropan-2-ol
CID 107230534
[3-[(thiophen-2-ylmethylamino)methyl]phenyl]methanol;hydrochloride
CID 115615873
3-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropan-1-ol
CID 107230392
[3-[(1H-pyrazol-5-ylmethylamino)methyl]phenyl]methanol;hydrochloride
CID 115615868
[3-[[(3-methylthiophen-2-yl)methylamino]methyl]phenyl]methanol
CID 103648607
2-[2-[[3-(hydroxymethyl)phenyl]methylamino]ethoxy]ethanol
CID 107230613
[3-[(4-phenylbutylamino)methyl]phenyl]methanol
CID 107230381
[3-[[(2-bromo-4-fluorophenyl)methylamino]methyl]phenyl]methanol
CID 103792992

Frequently Asked Questions

What is the IUPAC name of [3-[[(4-iodophenyl)methylamino]methyl]phenyl]methanol?
The IUPAC name of [3-[[(4-iodophenyl)methylamino]methyl]phenyl]methanol (CID 107230485) is [3-[[(4-iodophenyl)methylamino]methyl]phenyl]methanol.
What is the SMILES notation for [3-[[(4-iodophenyl)methylamino]methyl]phenyl]methanol?
The canonical SMILES for [3-[[(4-iodophenyl)methylamino]methyl]phenyl]methanol is OCc1cccc(CNCc2ccc(I)cc2)c1.
What is the InChIKey of [3-[[(4-iodophenyl)methylamino]methyl]phenyl]methanol?
The InChIKey is XVHMSFHMSCHTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16INO/c16-15-6-4-12(5-7-15)9-17-10-13-2-1-3-14(8-13)11-18/h1-8,17-18H,9-11H2.
What are the key properties of [3-[[(4-iodophenyl)methylamino]methyl]phenyl]methanol?
[3-[[(4-iodophenyl)methylamino]methyl]phenyl]methanol has a molecular weight of 353.20 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(4-iodophenyl)methylamino]methyl]phenyl]methanol is sourced from PubChem (CID 107230485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).