(2R)-1-(2-iodo-3-methylphenyl)propan-2-amine

C10H14IN — CID 131014197

IUPAC(2R)-1-(2-iodo-3-methylphenyl)propan-2-amine
SMILESCc1cccc(C[C@@H](C)N)c1I
InChIInChI=1S/C10H14IN/c1-7-4-3-5-9(10(7)11)6-8(2)12/h3-5,8H,6,12H2,1-2H3/t8-/m1/s1
InChIKeyXZBIWONRHSXAAA-MRVPVSSYSA-N
MW275.13 g/mol
LogP2.49
Rot. Bonds2

About (2R)-1-(2-iodo-3-methylphenyl)propan-2-amine

(2R)-1-(2-iodo-3-methylphenyl)propan-2-amine (PubChem CID 131014197) has the molecular formula C10H14IN and a molecular weight of 275.13 g/mol. Its IUPAC name is (2R)-1-(2-iodo-3-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(2-iodo-3-methylphenyl)propan-2-amine
PubChem CID131014197
Molecular FormulaC10H14IN
Molecular Weight275.13 g/mol
Exact Mass275.02
IUPAC Name(2R)-1-(2-iodo-3-methylphenyl)propan-2-amine
SMILESCc1cccc(C[C@@H](C)N)c1I
InChIInChI=1S/C10H14IN/c1-7-4-3-5-9(10(7)11)6-8(2)12/h3-5,8H,6,12H2,1-2H3/t8-/m1/s1
InChIKeyXZBIWONRHSXAAA-MRVPVSSYSA-N
XLogP2.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.13
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(2R)-2-aminopropyl]-6-methylaniline
CID 130618077
(2R)-1-(2-ethyl-3-methylphenyl)propan-2-amine
CID 130971593
1-(2-methoxy-3-methylphenyl)propan-2-amine
CID 3029797
(2R)-1-(2,6-dimethylphenyl)propan-2-amine;hydrochloride
CID 175702028
1-(3-ethyl-2-methylphenyl)propan-2-amine
CID 134425754
1-[2-(2,3-dimethylphenoxy)phenyl]propan-2-amine
CID 63817683
(2R)-1-(3-fluoro-2-methylphenyl)propan-2-amine
CID 130795022
1-(5-iodo-2-methylphenyl)propan-2-amine
CID 130041396
1-(2-iodo-3-methylphenyl)-N-methylmethanamine
CID 15288422
ethylbenzene;1-(2-iodophenyl)propan-2-amine
CID 70550736
1-[3-methyl-2-(3-phenylpropoxy)phenyl]propan-2-amine
CID 115958003
λ2-plumbane;1-phenylpropan-2-amine
CID 174896483

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-iodo-3-methylphenyl)propan-2-amine?
The IUPAC name of (2R)-1-(2-iodo-3-methylphenyl)propan-2-amine (CID 131014197) is (2R)-1-(2-iodo-3-methylphenyl)propan-2-amine.
What is the SMILES notation for (2R)-1-(2-iodo-3-methylphenyl)propan-2-amine?
The canonical SMILES for (2R)-1-(2-iodo-3-methylphenyl)propan-2-amine is Cc1cccc(C[C@@H](C)N)c1I.
What is the InChIKey of (2R)-1-(2-iodo-3-methylphenyl)propan-2-amine?
The InChIKey is XZBIWONRHSXAAA-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14IN/c1-7-4-3-5-9(10(7)11)6-8(2)12/h3-5,8H,6,12H2,1-2H3/t8-/m1/s1.
What are the key properties of (2R)-1-(2-iodo-3-methylphenyl)propan-2-amine?
(2R)-1-(2-iodo-3-methylphenyl)propan-2-amine has a molecular weight of 275.13 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-iodo-3-methylphenyl)propan-2-amine is sourced from PubChem (CID 131014197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).