(1R)-1-(5-bromo-3-iodo-2-methoxyphenyl)propan-1-amine

C10H13BrINO — CID 130681656

IUPAC(1R)-1-(5-bromo-3-iodo-2-methoxyphenyl)propan-1-amine
SMILESCC[C@@H](N)c1cc(Br)cc(I)c1OC
InChIInChI=1S/C10H13BrINO/c1-3-9(13)7-4-6(11)5-8(12)10(7)14-2/h4-5,9H,3,13H2,1-2H3/t9-/m1/s1
InChIKeyXQQLFTZMOBOYSD-SECBINFHSA-N
MW370.03 g/mol
LogP3.47
Rot. Bonds3

About (1R)-1-(5-bromo-3-iodo-2-methoxyphenyl)propan-1-amine

(1R)-1-(5-bromo-3-iodo-2-methoxyphenyl)propan-1-amine (PubChem CID 130681656) has the molecular formula C10H13BrINO and a molecular weight of 370.03 g/mol. Its IUPAC name is (1R)-1-(5-bromo-3-iodo-2-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name(1R)-1-(5-bromo-3-iodo-2-methoxyphenyl)propan-1-amine
PubChem CID130681656
Molecular FormulaC10H13BrINO
Molecular Weight370.03 g/mol
Exact Mass368.92
IUPAC Name(1R)-1-(5-bromo-3-iodo-2-methoxyphenyl)propan-1-amine
SMILESCC[C@@H](N)c1cc(Br)cc(I)c1OC
InChIInChI=1S/C10H13BrINO/c1-3-9(13)7-4-6(11)5-8(12)10(7)14-2/h4-5,9H,3,13H2,1-2H3/t9-/m1/s1
InChIKeyXQQLFTZMOBOYSD-SECBINFHSA-N
XLogP3.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.03
LogP ≤ 53.47
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

(1R)-1-(4-iodo-2,5-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 175942347
2-[(1S)-1-aminopropyl]-4,6-dibromoaniline
CID 130700951
1-(5-bromo-2-ethoxyphenyl)propan-1-amine
CID 43243938
(1R)-1-(5-bromo-2-methylphenyl)propan-1-amine
CID 96840213
(1S)-1-(5-bromo-2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171226068
2-[(1R)-1-aminopropyl]-6-bromo-4-methoxyphenol
CID 131167038
2-[(1S)-1-aminopropyl]-6-bromo-4-methoxyphenol
CID 130699655
1-(3,5-dibromophenyl)propan-1-amine
CID 91121714
2-[(1R)-1-aminopropyl]-6-bromo-4-methoxyphenol;hydrochloride
CID 171257647
(1S)-1-(2-bromo-5-iodophenyl)propan-1-amine
CID 130713970
(1R)-1-(5-bromo-2-methylphenyl)propan-1-amine;hydrochloride
CID 171203844
1-(5-bromo-2-chlorophenyl)propan-1-amine
CID 83988605

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-bromo-3-iodo-2-methoxyphenyl)propan-1-amine?
The IUPAC name of (1R)-1-(5-bromo-3-iodo-2-methoxyphenyl)propan-1-amine (CID 130681656) is (1R)-1-(5-bromo-3-iodo-2-methoxyphenyl)propan-1-amine.
What is the SMILES notation for (1R)-1-(5-bromo-3-iodo-2-methoxyphenyl)propan-1-amine?
The canonical SMILES for (1R)-1-(5-bromo-3-iodo-2-methoxyphenyl)propan-1-amine is CC[C@@H](N)c1cc(Br)cc(I)c1OC.
What is the InChIKey of (1R)-1-(5-bromo-3-iodo-2-methoxyphenyl)propan-1-amine?
The InChIKey is XQQLFTZMOBOYSD-SECBINFHSA-N. The full InChI is InChI=1S/C10H13BrINO/c1-3-9(13)7-4-6(11)5-8(12)10(7)14-2/h4-5,9H,3,13H2,1-2H3/t9-/m1/s1.
What are the key properties of (1R)-1-(5-bromo-3-iodo-2-methoxyphenyl)propan-1-amine?
(1R)-1-(5-bromo-3-iodo-2-methoxyphenyl)propan-1-amine has a molecular weight of 370.03 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-bromo-3-iodo-2-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 130681656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).