(1R)-1-(3-iodo-4-methylphenyl)propan-1-amine

C10H14IN — CID 130737749

IUPAC(1R)-1-(3-iodo-4-methylphenyl)propan-1-amine
SMILESCC[C@@H](N)c1ccc(C)c(I)c1
InChIInChI=1S/C10H14IN/c1-3-10(12)8-5-4-7(2)9(11)6-8/h4-6,10H,3,12H2,1-2H3/t10-/m1/s1
InChIKeyRXXLOGPIYVBQRF-SNVBAGLBSA-N
MW275.13 g/mol
LogP3.01
Rot. Bonds2

About (1R)-1-(3-iodo-4-methylphenyl)propan-1-amine

(1R)-1-(3-iodo-4-methylphenyl)propan-1-amine (PubChem CID 130737749) has the molecular formula C10H14IN and a molecular weight of 275.13 g/mol. Its IUPAC name is (1R)-1-(3-iodo-4-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name(1R)-1-(3-iodo-4-methylphenyl)propan-1-amine
PubChem CID130737749
Molecular FormulaC10H14IN
Molecular Weight275.13 g/mol
Exact Mass275.02
IUPAC Name(1R)-1-(3-iodo-4-methylphenyl)propan-1-amine
SMILESCC[C@@H](N)c1ccc(C)c(I)c1
InChIInChI=1S/C10H14IN/c1-3-10(12)8-5-4-7(2)9(11)6-8/h4-6,10H,3,12H2,1-2H3/t10-/m1/s1
InChIKeyRXXLOGPIYVBQRF-SNVBAGLBSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R)-1-(3-iodo-4-methylphenyl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-(4-iodo-3-methylphenyl)propan-1-amine
CID 130664699
1-(4-chloro-3-methylphenyl)propan-1-amine
CID 15594744
(1S)-1-(4-methylphenyl)propan-1-amine
CID 7028357
1-[3-(1-aminopropyl)phenyl]propan-1-amine
CID 20543882
(1R)-1-(2-methyl-5-propan-2-ylphenyl)propan-1-amine
CID 55296635
ethane;1-(4-methylphenyl)propan-1-amine
CID 142982263
(1S)-1-(4-iodo-3-methylphenyl)but-3-en-1-amine
CID 130739983
1-(3-methyl-4-propan-2-yloxyphenyl)propan-1-amine
CID 82492417
(2R)-2-amino-2-(4-iodo-3-methylphenyl)ethanol
CID 66515891
5-[(1S)-1-aminopropyl]-2-bromoaniline
CID 130649492
carbon dioxide;1-(3-iodophenyl)propan-1-amine
CID 161357167
1-(3,4-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 22669212

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-iodo-4-methylphenyl)propan-1-amine?
The IUPAC name of (1R)-1-(3-iodo-4-methylphenyl)propan-1-amine (CID 130737749) is (1R)-1-(3-iodo-4-methylphenyl)propan-1-amine.
What is the SMILES notation for (1R)-1-(3-iodo-4-methylphenyl)propan-1-amine?
The canonical SMILES for (1R)-1-(3-iodo-4-methylphenyl)propan-1-amine is CC[C@@H](N)c1ccc(C)c(I)c1.
What is the InChIKey of (1R)-1-(3-iodo-4-methylphenyl)propan-1-amine?
The InChIKey is RXXLOGPIYVBQRF-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H14IN/c1-3-10(12)8-5-4-7(2)9(11)6-8/h4-6,10H,3,12H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-(3-iodo-4-methylphenyl)propan-1-amine?
(1R)-1-(3-iodo-4-methylphenyl)propan-1-amine has a molecular weight of 275.13 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-iodo-4-methylphenyl)propan-1-amine is sourced from PubChem (CID 130737749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).