(1R)-2-[benzyl(methyl)amino]-1-(3-iodophenyl)ethanol

C16H18INO — CID 92857425

IUPAC(1R)-2-[benzyl(methyl)amino]-1-(3-iodophenyl)ethanol
SMILESCN(Cc1ccccc1)C[C@H](O)c1cccc(I)c1
InChIInChI=1S/C16H18INO/c1-18(11-13-6-3-2-4-7-13)12-16(19)14-8-5-9-15(17)10-14/h2-10,16,19H,11-12H2,1H3/t16-/m0/s1
InChIKeyYPGSEFDICUTVAP-INIZCTEOSA-N
MW367.23 g/mol
LogP3.46
Rot. Bonds5

About (1R)-2-[benzyl(methyl)amino]-1-(3-iodophenyl)ethanol

(1R)-2-[benzyl(methyl)amino]-1-(3-iodophenyl)ethanol (PubChem CID 92857425) has the molecular formula C16H18INO and a molecular weight of 367.23 g/mol. Its IUPAC name is (1R)-2-[benzyl(methyl)amino]-1-(3-iodophenyl)ethanol.

Molecular Properties

Compound Name(1R)-2-[benzyl(methyl)amino]-1-(3-iodophenyl)ethanol
PubChem CID92857425
Molecular FormulaC16H18INO
Molecular Weight367.23 g/mol
Exact Mass367.04
IUPAC Name(1R)-2-[benzyl(methyl)amino]-1-(3-iodophenyl)ethanol
SMILESCN(Cc1ccccc1)C[C@H](O)c1cccc(I)c1
InChIInChI=1S/C16H18INO/c1-18(11-13-6-3-2-4-7-13)12-16(19)14-8-5-9-15(17)10-14/h2-10,16,19H,11-12H2,1H3/t16-/m0/s1
InChIKeyYPGSEFDICUTVAP-INIZCTEOSA-N
XLogP3.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 53.46
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

4-[2-[benzyl(methyl)amino]-1-hydroxyethyl]benzene-1,2-diol
CID 22005903
2-[benzyl(methyl)amino]-1-(3-nitrophenyl)ethanol
CID 3116031
3-[2-[benzyl(trideuteriomethyl)amino]-1-hydroxyethyl]phenol
CID 71313919
2-[benzyl(methyl)amino]-1-phenylethanol;2-[benzyl(methyl)amino]-2-phenylethanol
CID 110192818
3-[benzyl(methyl)amino]-1,1-diphenylpropan-2-ol
CID 12549048
1-(3-chlorophenyl)-2-[methyl-[(3-methylphenyl)methyl]amino]ethanol
CID 71497976
CID 149219600
CID 149219600
2-[(3-bromophenyl)methyl-methylamino]-1-naphthalen-2-ylethanol
CID 44546740
3-[benzyl(methyl)amino]-1,1,1-trifluoropropan-2-ol
CID 2765888
(1R)-2-[methyl-[[3-(morpholin-4-ylmethyl)phenyl]methyl]amino]-1-phenylethanol
CID 129457730
bis(2-methylpropyl) 4-[2-[benzyl(methyl)amino]-1-hydroxyethyl]benzene-1,2-dicarboxylate
CID 91886360
4-[benzyl(methyl)amino]-1-(3-chlorophenyl)butan-1-ol
CID 91535520

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[benzyl(methyl)amino]-1-(3-iodophenyl)ethanol?
The IUPAC name of (1R)-2-[benzyl(methyl)amino]-1-(3-iodophenyl)ethanol (CID 92857425) is (1R)-2-[benzyl(methyl)amino]-1-(3-iodophenyl)ethanol.
What is the SMILES notation for (1R)-2-[benzyl(methyl)amino]-1-(3-iodophenyl)ethanol?
The canonical SMILES for (1R)-2-[benzyl(methyl)amino]-1-(3-iodophenyl)ethanol is CN(Cc1ccccc1)C[C@H](O)c1cccc(I)c1.
What is the InChIKey of (1R)-2-[benzyl(methyl)amino]-1-(3-iodophenyl)ethanol?
The InChIKey is YPGSEFDICUTVAP-INIZCTEOSA-N. The full InChI is InChI=1S/C16H18INO/c1-18(11-13-6-3-2-4-7-13)12-16(19)14-8-5-9-15(17)10-14/h2-10,16,19H,11-12H2,1H3/t16-/m0/s1.
What are the key properties of (1R)-2-[benzyl(methyl)amino]-1-(3-iodophenyl)ethanol?
(1R)-2-[benzyl(methyl)amino]-1-(3-iodophenyl)ethanol has a molecular weight of 367.23 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[benzyl(methyl)amino]-1-(3-iodophenyl)ethanol is sourced from PubChem (CID 92857425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).