2-[(4-iodophenyl)methylamino]-1-phenylethanol

C15H16INO — CID 65479403

IUPAC2-[(4-iodophenyl)methylamino]-1-phenylethanol
SMILESOC(CNCc1ccc(I)cc1)c1ccccc1
InChIInChI=1S/C15H16INO/c16-14-8-6-12(7-9-14)10-17-11-15(18)13-4-2-1-3-5-13/h1-9,15,17-18H,10-11H2
InChIKeyJXCBMUBNTOHLSW-UHFFFAOYSA-N
MW353.20 g/mol
LogP3.11
Rot. Bonds5

About 2-[(4-iodophenyl)methylamino]-1-phenylethanol

2-[(4-iodophenyl)methylamino]-1-phenylethanol (PubChem CID 65479403) has the molecular formula C15H16INO and a molecular weight of 353.20 g/mol. Its IUPAC name is 2-[(4-iodophenyl)methylamino]-1-phenylethanol.

Molecular Properties

Compound Name2-[(4-iodophenyl)methylamino]-1-phenylethanol
PubChem CID65479403
Molecular FormulaC15H16INO
Molecular Weight353.20 g/mol
Exact Mass353.03
IUPAC Name2-[(4-iodophenyl)methylamino]-1-phenylethanol
SMILESOC(CNCc1ccc(I)cc1)c1ccccc1
InChIInChI=1S/C15H16INO/c16-14-8-6-12(7-9-14)10-17-11-15(18)13-4-2-1-3-5-13/h1-9,15,17-18H,10-11H2
InChIKeyJXCBMUBNTOHLSW-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
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

(1R)-2-[(4-fluorophenyl)methylamino]-1-phenylethanol
CID 6926807
2-[[4-(benzenesulfonyl)phenyl]methylamino]-1-phenylethanol
CID 76673609
2-(benzylamino)-1-(4-phenylphenyl)ethanol
CID 12526842
(1R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol
CID 902475
2-(benzylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 60897047
2-[(3,4-dibromophenyl)methylamino]-1-phenylethanol
CID 115692952
2-[(3,4-dichlorophenyl)methylamino]-1-phenylethanol
CID 2978838
2-[(4-ethoxyphenyl)methylamino]-1-phenylethanol;hydrochloride
CID 6461573
2-[(3,5-dichlorophenyl)methylamino]-1-phenylethanol
CID 60788575
2-[(3,4-dichlorophenyl)methylamino]-1-phenylethanol;hydrochloride
CID 2978837
(1R)-2-[(3-methylphenyl)methylamino]-1-phenylethanol
CID 51681134
(1R)-2-[[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol
CID 51989026

Frequently Asked Questions

What is the IUPAC name of 2-[(4-iodophenyl)methylamino]-1-phenylethanol?
The IUPAC name of 2-[(4-iodophenyl)methylamino]-1-phenylethanol (CID 65479403) is 2-[(4-iodophenyl)methylamino]-1-phenylethanol.
What is the SMILES notation for 2-[(4-iodophenyl)methylamino]-1-phenylethanol?
The canonical SMILES for 2-[(4-iodophenyl)methylamino]-1-phenylethanol is OC(CNCc1ccc(I)cc1)c1ccccc1.
What is the InChIKey of 2-[(4-iodophenyl)methylamino]-1-phenylethanol?
The InChIKey is JXCBMUBNTOHLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16INO/c16-14-8-6-12(7-9-14)10-17-11-15(18)13-4-2-1-3-5-13/h1-9,15,17-18H,10-11H2.
What are the key properties of 2-[(4-iodophenyl)methylamino]-1-phenylethanol?
2-[(4-iodophenyl)methylamino]-1-phenylethanol has a molecular weight of 353.20 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-iodophenyl)methylamino]-1-phenylethanol is sourced from PubChem (CID 65479403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).