2-[(4-iodophenyl)methyl-methylamino]propan-1-ol

C11H16INO — CID 115877332

IUPAC2-[(4-iodophenyl)methyl-methylamino]propan-1-ol
SMILESCC(CO)N(C)Cc1ccc(I)cc1
InChIInChI=1S/C11H16INO/c1-9(8-14)13(2)7-10-3-5-11(12)6-4-10/h3-6,9,14H,7-8H2,1-2H3
InChIKeyHPQMJISILPPEKM-UHFFFAOYSA-N
MW305.16 g/mol
LogP2.10
Rot. Bonds4

About 2-[(4-iodophenyl)methyl-methylamino]propan-1-ol

2-[(4-iodophenyl)methyl-methylamino]propan-1-ol (PubChem CID 115877332) has the molecular formula C11H16INO and a molecular weight of 305.16 g/mol. Its IUPAC name is 2-[(4-iodophenyl)methyl-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[(4-iodophenyl)methyl-methylamino]propan-1-ol
PubChem CID115877332
Molecular FormulaC11H16INO
Molecular Weight305.16 g/mol
Exact Mass305.03
IUPAC Name2-[(4-iodophenyl)methyl-methylamino]propan-1-ol
SMILESCC(CO)N(C)Cc1ccc(I)cc1
InChIInChI=1S/C11H16INO/c1-9(8-14)13(2)7-10-3-5-11(12)6-4-10/h3-6,9,14H,7-8H2,1-2H3
InChIKeyHPQMJISILPPEKM-UHFFFAOYSA-N
XLogP2.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Benzoxonium Chloride
CID 29563
2,2'-((Phenylmethyl)imino)bisethanol
CID 7553
2-((1-Phenylethyl)amino)ethan-1-ol
CID 14909
N,N-Dibenzylethanolamine
CID 22657
1-Benzylpiperidin-3-ol
CID 85773
N-Benzyl-N-methylethanolamine
CID 66876
2-[2-Hydroxyethyl-[(4-methylphenyl)methyl]amino]ethanol
CID 4219208
2-(Benzylamino)propan-1-ol
CID 138873
(R)-(+)-1-Benzyl-3-pyrrolidinol
CID 643472
(R)-2-(benzylamino)butan-1-ol
CID 927306
3-(N-Benzyl-N-methylamino)propan-1-ol
CID 79884
2-[(2-Fluorophenyl)methyl-(2-hydroxyethyl)amino]ethanol
CID 783973

Frequently Asked Questions

What is the IUPAC name of 2-[(4-iodophenyl)methyl-methylamino]propan-1-ol?
The IUPAC name of 2-[(4-iodophenyl)methyl-methylamino]propan-1-ol (CID 115877332) is 2-[(4-iodophenyl)methyl-methylamino]propan-1-ol.
What is the SMILES notation for 2-[(4-iodophenyl)methyl-methylamino]propan-1-ol?
The canonical SMILES for 2-[(4-iodophenyl)methyl-methylamino]propan-1-ol is CC(CO)N(C)Cc1ccc(I)cc1.
What is the InChIKey of 2-[(4-iodophenyl)methyl-methylamino]propan-1-ol?
The InChIKey is HPQMJISILPPEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16INO/c1-9(8-14)13(2)7-10-3-5-11(12)6-4-10/h3-6,9,14H,7-8H2,1-2H3.
What are the key properties of 2-[(4-iodophenyl)methyl-methylamino]propan-1-ol?
2-[(4-iodophenyl)methyl-methylamino]propan-1-ol has a molecular weight of 305.16 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-iodophenyl)methyl-methylamino]propan-1-ol is sourced from PubChem (CID 115877332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).