(1R)-1-(2-iodo-5-methoxyphenyl)prop-2-en-1-amine

C10H12INO — CID 131150983

IUPAC(1R)-1-(2-iodo-5-methoxyphenyl)prop-2-en-1-amine
SMILESC=C[C@@H](N)c1cc(OC)ccc1I
InChIInChI=1S/C10H12INO/c1-3-10(12)8-6-7(13-2)4-5-9(8)11/h3-6,10H,1,12H2,2H3/t10-/m1/s1
InChIKeyRCGYOEKVBQFORK-SNVBAGLBSA-N
MW289.12 g/mol
LogP2.49
Rot. Bonds3

About (1R)-1-(2-iodo-5-methoxyphenyl)prop-2-en-1-amine

(1R)-1-(2-iodo-5-methoxyphenyl)prop-2-en-1-amine (PubChem CID 131150983) has the molecular formula C10H12INO and a molecular weight of 289.12 g/mol. Its IUPAC name is (1R)-1-(2-iodo-5-methoxyphenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(1R)-1-(2-iodo-5-methoxyphenyl)prop-2-en-1-amine
PubChem CID131150983
Molecular FormulaC10H12INO
Molecular Weight289.12 g/mol
Exact Mass289.00
IUPAC Name(1R)-1-(2-iodo-5-methoxyphenyl)prop-2-en-1-amine
SMILESC=C[C@@H](N)c1cc(OC)ccc1I
InChIInChI=1S/C10H12INO/c1-3-10(12)8-6-7(13-2)4-5-9(8)11/h3-6,10H,1,12H2,2H3/t10-/m1/s1
InChIKeyRCGYOEKVBQFORK-SNVBAGLBSA-N
XLogP2.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.12
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-3-(2-iodo-5-methoxyphenyl)propanenitrile
CID 130043849
(1R)-1-(3-methoxyphenyl)prop-2-en-1-amine
CID 55278128
diethyl 2-(2-iodo-5-methoxyphenyl)propanedioate
CID 138974831
2-iodo-5-methoxyaniline
CID 11139508
(1S)-1-(2-methoxyphenyl)prop-2-en-1-amine
CID 124509135
1-(2-bromo-5-methoxyphenyl)but-3-en-1-amine
CID 112693724
1-(4-fluoro-2-methoxyphenyl)prop-2-en-1-amine
CID 55282422
(1R)-1-(5-chloro-2-methoxyphenyl)prop-2-en-1-amine
CID 131139061
1-ethenyl-4-methoxy-2-propan-2-ylbenzene
CID 22712642
(3-chloro-4-iodophenyl)-(2-chloro-4-methoxyphenyl)methanamine
CID 103220223
(1R)-1-(2,5-dimethoxyphenyl)pent-4-en-1-amine;hydrochloride
CID 171200247
(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-en-1-amine
CID 171216225

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-iodo-5-methoxyphenyl)prop-2-en-1-amine?
The IUPAC name of (1R)-1-(2-iodo-5-methoxyphenyl)prop-2-en-1-amine (CID 131150983) is (1R)-1-(2-iodo-5-methoxyphenyl)prop-2-en-1-amine.
What is the SMILES notation for (1R)-1-(2-iodo-5-methoxyphenyl)prop-2-en-1-amine?
The canonical SMILES for (1R)-1-(2-iodo-5-methoxyphenyl)prop-2-en-1-amine is C=C[C@@H](N)c1cc(OC)ccc1I.
What is the InChIKey of (1R)-1-(2-iodo-5-methoxyphenyl)prop-2-en-1-amine?
The InChIKey is RCGYOEKVBQFORK-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H12INO/c1-3-10(12)8-6-7(13-2)4-5-9(8)11/h3-6,10H,1,12H2,2H3/t10-/m1/s1.
What are the key properties of (1R)-1-(2-iodo-5-methoxyphenyl)prop-2-en-1-amine?
(1R)-1-(2-iodo-5-methoxyphenyl)prop-2-en-1-amine has a molecular weight of 289.12 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-iodo-5-methoxyphenyl)prop-2-en-1-amine is sourced from PubChem (CID 131150983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).