2-iodo-6-methoxy-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]phenol

C16H19IN2O2 — CID 4662476

IUPAC2-iodo-6-methoxy-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]phenol
SMILESCOc1cc(CN(C)CCc2ccccn2)cc(I)c1O
InChIInChI=1S/C16H19IN2O2/c1-19(8-6-13-5-3-4-7-18-13)11-12-9-14(17)16(20)15(10-12)21-2/h3-5,7,9-10,20H,6,8,11H2,1-2H3
InChIKeyQIOGIGIDBMQSAU-UHFFFAOYSA-N
MW398.24 g/mol
LogP3.07
Rot. Bonds6

About 2-iodo-6-methoxy-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]phenol

2-iodo-6-methoxy-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]phenol (PubChem CID 4662476) has the molecular formula C16H19IN2O2 and a molecular weight of 398.24 g/mol. Its IUPAC name is 2-iodo-6-methoxy-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-iodo-6-methoxy-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]phenol
PubChem CID4662476
Molecular FormulaC16H19IN2O2
Molecular Weight398.24 g/mol
Exact Mass398.05
IUPAC Name2-iodo-6-methoxy-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]phenol
SMILESCOc1cc(CN(C)CCc2ccccn2)cc(I)c1O
InChIInChI=1S/C16H19IN2O2/c1-19(8-6-13-5-3-4-7-18-13)11-12-9-14(17)16(20)15(10-12)21-2/h3-5,7,9-10,20H,6,8,11H2,1-2H3
InChIKeyQIOGIGIDBMQSAU-UHFFFAOYSA-N
XLogP3.07
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.24
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]aniline
CID 43247155
N-benzyl-N-methyl-2-pyridin-2-ylethanamine;oxalic acid
CID 17384893
3-methoxy-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]aniline
CID 107208208
N-methyl-2-pyridin-2-yl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 662771
N-methyl-2-pyridin-2-yl-N-(pyridin-3-ylmethyl)ethanamine
CID 2055754
4-chloro-2,6-bis[[methyl(2-pyridin-2-ylethyl)amino]methyl]phenol
CID 139202506
N-[(5-bromo-3-pyridinyl)methyl]-N-methyl-2-pyridin-2-ylethanamine
CID 115877394
N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid
CID 2845946
4-[3-(dimethylamino)propyl]-2-iodo-6-methoxyphenol
CID 170865187
N-methyl-2-pyridin-2-yl-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103438267
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-2-pyridin-2-ylethanamine
CID 62419205
N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide
CID 42701819

Frequently Asked Questions

What is the IUPAC name of 2-iodo-6-methoxy-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]phenol?
The IUPAC name of 2-iodo-6-methoxy-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]phenol (CID 4662476) is 2-iodo-6-methoxy-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]phenol.
What is the SMILES notation for 2-iodo-6-methoxy-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]phenol?
The canonical SMILES for 2-iodo-6-methoxy-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]phenol is COc1cc(CN(C)CCc2ccccn2)cc(I)c1O.
What is the InChIKey of 2-iodo-6-methoxy-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]phenol?
The InChIKey is QIOGIGIDBMQSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19IN2O2/c1-19(8-6-13-5-3-4-7-18-13)11-12-9-14(17)16(20)15(10-12)21-2/h3-5,7,9-10,20H,6,8,11H2,1-2H3.
What are the key properties of 2-iodo-6-methoxy-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]phenol?
2-iodo-6-methoxy-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]phenol has a molecular weight of 398.24 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-6-methoxy-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]phenol is sourced from PubChem (CID 4662476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).