2-(3-aminopropyl)-3-iodo-6-methoxyphenol

C10H14INO2 — CID 170867530

IUPAC2-(3-aminopropyl)-3-iodo-6-methoxyphenol
SMILESCOc1ccc(I)c(CCCN)c1O
InChIInChI=1S/C10H14INO2/c1-14-9-5-4-8(11)7(10(9)13)3-2-6-12/h4-5,13H,2-3,6,12H2,1H3
InChIKeyOTERSQRKVMIDAJ-UHFFFAOYSA-N
MW307.13 g/mol
LogP1.90
Rot. Bonds4

About 2-(3-aminopropyl)-3-iodo-6-methoxyphenol

2-(3-aminopropyl)-3-iodo-6-methoxyphenol (PubChem CID 170867530) has the molecular formula C10H14INO2 and a molecular weight of 307.13 g/mol. Its IUPAC name is 2-(3-aminopropyl)-3-iodo-6-methoxyphenol.

Molecular Properties

Compound Name2-(3-aminopropyl)-3-iodo-6-methoxyphenol
PubChem CID170867530
Molecular FormulaC10H14INO2
Molecular Weight307.13 g/mol
Exact Mass307.01
IUPAC Name2-(3-aminopropyl)-3-iodo-6-methoxyphenol
SMILESCOc1ccc(I)c(CCCN)c1O
InChIInChI=1S/C10H14INO2/c1-14-9-5-4-8(11)7(10(9)13)3-2-6-12/h4-5,13H,2-3,6,12H2,1H3
InChIKeyOTERSQRKVMIDAJ-UHFFFAOYSA-N
XLogP1.90
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.13
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(dimethylamino)propyl]-3-iodo-6-methoxyphenol
CID 170865553
2-(4-aminobutyl)-6-methoxy-3-(trifluoromethyl)phenol
CID 117412088
5-(3-aminopropyl)-2-methoxyphenol
CID 55265877
3-(2-chloro-3,6-dimethoxyphenyl)propan-1-amine
CID 84793335
3-(3,4-dimethoxyphenyl)propan-1-amine
CID 2281053
3-(6-fluoro-2,3-dimethoxyphenyl)propan-1-amine
CID 117304223
6-methoxy-3-methyl-2-propylphenol
CID 170766303
3-(6-chloro-2,3-dimethoxyphenyl)propan-1-amine
CID 117331594
3-[10-(3-aminopropyl)-2,3,6,7-tetramethoxyanthracen-9-yl]propan-1-amine;dihydrochloride
CID 10390646
3-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]propan-1-amine
CID 82186047
3-bromo-2-[3-(dimethylamino)propyl]-6-methoxyphenol
CID 170865361
2-(3-aminopropyl)-3-bromo-4,5-dimethoxyphenol
CID 117468532

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-3-iodo-6-methoxyphenol?
The IUPAC name of 2-(3-aminopropyl)-3-iodo-6-methoxyphenol (CID 170867530) is 2-(3-aminopropyl)-3-iodo-6-methoxyphenol.
What is the SMILES notation for 2-(3-aminopropyl)-3-iodo-6-methoxyphenol?
The canonical SMILES for 2-(3-aminopropyl)-3-iodo-6-methoxyphenol is COc1ccc(I)c(CCCN)c1O.
What is the InChIKey of 2-(3-aminopropyl)-3-iodo-6-methoxyphenol?
The InChIKey is OTERSQRKVMIDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14INO2/c1-14-9-5-4-8(11)7(10(9)13)3-2-6-12/h4-5,13H,2-3,6,12H2,1H3.
What are the key properties of 2-(3-aminopropyl)-3-iodo-6-methoxyphenol?
2-(3-aminopropyl)-3-iodo-6-methoxyphenol has a molecular weight of 307.13 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-3-iodo-6-methoxyphenol is sourced from PubChem (CID 170867530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).