1-(4-iodo-2-methoxy-5-methylphenyl)propan-2-amine

C11H16INO — CID 167705382

IUPAC1-(4-iodo-2-methoxy-5-methylphenyl)propan-2-amine
SMILESCOc1cc(I)c(C)cc1CC(C)N
InChIInChI=1S/C11H16INO/c1-7-4-9(5-8(2)13)11(14-3)6-10(7)12/h4,6,8H,5,13H2,1-3H3
InChIKeyZAIZPYDJMFOLJA-UHFFFAOYSA-N
MW305.16 g/mol
LogP2.50
Rot. Bonds3

About 1-(4-iodo-2-methoxy-5-methylphenyl)propan-2-amine

1-(4-iodo-2-methoxy-5-methylphenyl)propan-2-amine (PubChem CID 167705382) has the molecular formula C11H16INO and a molecular weight of 305.16 g/mol. Its IUPAC name is 1-(4-iodo-2-methoxy-5-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-iodo-2-methoxy-5-methylphenyl)propan-2-amine
PubChem CID167705382
Molecular FormulaC11H16INO
Molecular Weight305.16 g/mol
Exact Mass305.03
IUPAC Name1-(4-iodo-2-methoxy-5-methylphenyl)propan-2-amine
SMILESCOc1cc(I)c(C)cc1CC(C)N
InChIInChI=1S/C11H16INO/c1-7-4-9(5-8(2)13)11(14-3)6-10(7)12/h4,6,8H,5,13H2,1-3H3
InChIKeyZAIZPYDJMFOLJA-UHFFFAOYSA-N
XLogP2.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 52.50
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

(2S)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine;hydrobromide
CID 102602641
(2S)-1-(2,5-dimethoxy-4-propylphenyl)propan-2-amine
CID 121489695
1-(5-bromo-2-methoxyphenyl)propan-2-amine
CID 43141128
1-[2,5-dimethoxy-4-(2,2,2-trifluoroethyl)phenyl]propan-2-amine
CID 170143488
1-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]propan-2-amine
CID 117355444
[5-(2-aminopropyl)-4-methoxy-2-methylphenyl] methanesulfonate;hydrochloride
CID 86611659
(2S)-1-(4-ethylsulfonyl-2,5-dimethoxyphenyl)propan-2-amine
CID 101190835
1-(4-methoxy-2,3,5-trimethylphenyl)propan-2-amine
CID 13209710
1-(4,5-dimethoxy-2,3-dimethylphenyl)propan-2-amine
CID 117320597
(2R)-1-(4-benzyl-2,5-dimethoxyphenyl)propan-2-amine
CID 69398998
1-[2,5-dimethoxy-4-(2-methylsulfinylethyl)phenyl]propan-2-amine
CID 69398597
6-(2-aminopropyl)-2-chloro-3,4-dimethoxyphenol
CID 117366752

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodo-2-methoxy-5-methylphenyl)propan-2-amine?
The IUPAC name of 1-(4-iodo-2-methoxy-5-methylphenyl)propan-2-amine (CID 167705382) is 1-(4-iodo-2-methoxy-5-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-(4-iodo-2-methoxy-5-methylphenyl)propan-2-amine?
The canonical SMILES for 1-(4-iodo-2-methoxy-5-methylphenyl)propan-2-amine is COc1cc(I)c(C)cc1CC(C)N.
What is the InChIKey of 1-(4-iodo-2-methoxy-5-methylphenyl)propan-2-amine?
The InChIKey is ZAIZPYDJMFOLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16INO/c1-7-4-9(5-8(2)13)11(14-3)6-10(7)12/h4,6,8H,5,13H2,1-3H3.
What are the key properties of 1-(4-iodo-2-methoxy-5-methylphenyl)propan-2-amine?
1-(4-iodo-2-methoxy-5-methylphenyl)propan-2-amine has a molecular weight of 305.16 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodo-2-methoxy-5-methylphenyl)propan-2-amine is sourced from PubChem (CID 167705382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).