(2R)-2-[5-chloro-2-(2-iodoethyl)phenyl]propan-1-amine

C11H15ClIN — CID 118216422

IUPAC(2R)-2-[5-chloro-2-(2-iodoethyl)phenyl]propan-1-amine
SMILESC[C@@H](CN)c1cc(Cl)ccc1CCI
InChIInChI=1S/C11H15ClIN/c1-8(7-14)11-6-10(12)3-2-9(11)4-5-13/h2-3,6,8H,4-5,7,14H2,1H3/t8-/m0/s1
InChIKeyCKRIHXMWTOBSJY-QMMMGPOBSA-N
MW323.61 g/mol
LogP3.38
Rot. Bonds4

About (2R)-2-[5-chloro-2-(2-iodoethyl)phenyl]propan-1-amine

(2R)-2-[5-chloro-2-(2-iodoethyl)phenyl]propan-1-amine (PubChem CID 118216422) has the molecular formula C11H15ClIN and a molecular weight of 323.61 g/mol. Its IUPAC name is (2R)-2-[5-chloro-2-(2-iodoethyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name(2R)-2-[5-chloro-2-(2-iodoethyl)phenyl]propan-1-amine
PubChem CID118216422
Molecular FormulaC11H15ClIN
Molecular Weight323.61 g/mol
Exact Mass322.99
IUPAC Name(2R)-2-[5-chloro-2-(2-iodoethyl)phenyl]propan-1-amine
SMILESC[C@@H](CN)c1cc(Cl)ccc1CCI
InChIInChI=1S/C11H15ClIN/c1-8(7-14)11-6-10(12)3-2-9(11)4-5-13/h2-3,6,8H,4-5,7,14H2,1H3/t8-/m0/s1
InChIKeyCKRIHXMWTOBSJY-QMMMGPOBSA-N
XLogP3.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.61
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[5-chloro-2-(2-iodoethyl)phenyl]propan-1-amine?
The IUPAC name of (2R)-2-[5-chloro-2-(2-iodoethyl)phenyl]propan-1-amine (CID 118216422) is (2R)-2-[5-chloro-2-(2-iodoethyl)phenyl]propan-1-amine.
What is the SMILES notation for (2R)-2-[5-chloro-2-(2-iodoethyl)phenyl]propan-1-amine?
The canonical SMILES for (2R)-2-[5-chloro-2-(2-iodoethyl)phenyl]propan-1-amine is C[C@@H](CN)c1cc(Cl)ccc1CCI.
What is the InChIKey of (2R)-2-[5-chloro-2-(2-iodoethyl)phenyl]propan-1-amine?
The InChIKey is CKRIHXMWTOBSJY-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15ClIN/c1-8(7-14)11-6-10(12)3-2-9(11)4-5-13/h2-3,6,8H,4-5,7,14H2,1H3/t8-/m0/s1.
What are the key properties of (2R)-2-[5-chloro-2-(2-iodoethyl)phenyl]propan-1-amine?
(2R)-2-[5-chloro-2-(2-iodoethyl)phenyl]propan-1-amine has a molecular weight of 323.61 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[5-chloro-2-(2-iodoethyl)phenyl]propan-1-amine is sourced from PubChem (CID 118216422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).