(1R)-1-(4-iodo-2,5-dimethoxyphenyl)propan-1-amine;hydrochloride

C11H17ClINO2 — CID 175942347

IUPAC(1R)-1-(4-iodo-2,5-dimethoxyphenyl)propan-1-amine;hydrochloride
SMILESCC[C@@H](N)c1cc(OC)c(I)cc1OC.Cl
InChIInChI=1S/C11H16INO2.ClH/c1-4-9(13)7-5-11(15-3)8(12)6-10(7)14-2;/h5-6,9H,4,13H2,1-3H3;1H/t9-;/m1./s1
InChIKeyIRBWVZPRSVHOLQ-SBSPUUFOSA-N
MW357.62 g/mol
LogP3.14
Rot. Bonds4

About (1R)-1-(4-iodo-2,5-dimethoxyphenyl)propan-1-amine;hydrochloride

(1R)-1-(4-iodo-2,5-dimethoxyphenyl)propan-1-amine;hydrochloride (PubChem CID 175942347) has the molecular formula C11H17ClINO2 and a molecular weight of 357.62 g/mol. Its IUPAC name is (1R)-1-(4-iodo-2,5-dimethoxyphenyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(4-iodo-2,5-dimethoxyphenyl)propan-1-amine;hydrochloride
PubChem CID175942347
Molecular FormulaC11H17ClINO2
Molecular Weight357.62 g/mol
Exact Mass357.00
IUPAC Name(1R)-1-(4-iodo-2,5-dimethoxyphenyl)propan-1-amine;hydrochloride
SMILESCC[C@@H](N)c1cc(OC)c(I)cc1OC.Cl
InChIInChI=1S/C11H16INO2.ClH/c1-4-9(13)7-5-11(15-3)8(12)6-10(7)14-2;/h5-6,9H,4,13H2,1-3H3;1H/t9-;/m1./s1
InChIKeyIRBWVZPRSVHOLQ-SBSPUUFOSA-N
XLogP3.14
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.62
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(5-chloro-2-methoxyphenyl)propan-1-amine;hydrochloride
CID 171215023
(1R)-1-(2-methoxyphenyl)propan-1-amine;hydrochloride
CID 53484779
4-[(1S)-1-aminopropyl]-3-methoxyaniline
CID 130731352
(1R)-1-(5-bromo-3-iodo-2-methoxyphenyl)propan-1-amine
CID 130681656
(1S)-1-(4-fluoro-2-methoxyphenyl)propan-1-amine
CID 55253804
(1S)-1-(4-bromo-2,5-dimethoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171214686
(1S)-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine
CID 66517496
1-[2-methoxy-4-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 167530945
(1R)-1-(4-ethoxy-3-methoxyphenyl)propan-1-amine;hydrochloride
CID 171212219
(2R)-2-amino-2-(2,4,5-trimethoxyphenyl)ethanol
CID 42579772
(1R)-1-(4-bromo-2,5-dimethoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171214707
(3S)-3-amino-3-(2,4,5-trimethoxyphenyl)propan-1-ol;hydrochloride
CID 171219089

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-iodo-2,5-dimethoxyphenyl)propan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(4-iodo-2,5-dimethoxyphenyl)propan-1-amine;hydrochloride (CID 175942347) is (1R)-1-(4-iodo-2,5-dimethoxyphenyl)propan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(4-iodo-2,5-dimethoxyphenyl)propan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(4-iodo-2,5-dimethoxyphenyl)propan-1-amine;hydrochloride is CC[C@@H](N)c1cc(OC)c(I)cc1OC.Cl.
What is the InChIKey of (1R)-1-(4-iodo-2,5-dimethoxyphenyl)propan-1-amine;hydrochloride?
The InChIKey is IRBWVZPRSVHOLQ-SBSPUUFOSA-N. The full InChI is InChI=1S/C11H16INO2.ClH/c1-4-9(13)7-5-11(15-3)8(12)6-10(7)14-2;/h5-6,9H,4,13H2,1-3H3;1H/t9-;/m1./s1.
What are the key properties of (1R)-1-(4-iodo-2,5-dimethoxyphenyl)propan-1-amine;hydrochloride?
(1R)-1-(4-iodo-2,5-dimethoxyphenyl)propan-1-amine;hydrochloride has a molecular weight of 357.62 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-iodo-2,5-dimethoxyphenyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 175942347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).