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

C10H14IN — CID 103846034

IUPAC1-(2-iodo-3-methylphenyl)propan-1-amine
SMILESCCC(N)c1cccc(C)c1I
InChIInChI=1S/C10H14IN/c1-3-9(12)8-6-4-5-7(2)10(8)11/h4-6,9H,3,12H2,1-2H3
InChIKeyZFBNGXOUAHRAMO-UHFFFAOYSA-N
MW275.13 g/mol
LogP3.01
Rot. Bonds2

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

1-(2-iodo-3-methylphenyl)propan-1-amine (PubChem CID 103846034) has the molecular formula C10H14IN and a molecular weight of 275.13 g/mol. Its IUPAC name is 1-(2-iodo-3-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name1-(2-iodo-3-methylphenyl)propan-1-amine
PubChem CID103846034
Molecular FormulaC10H14IN
Molecular Weight275.13 g/mol
Exact Mass275.02
IUPAC Name1-(2-iodo-3-methylphenyl)propan-1-amine
SMILESCCC(N)c1cccc(C)c1I
InChIInChI=1S/C10H14IN/c1-3-9(12)8-6-4-5-7(2)10(8)11/h4-6,9H,3,12H2,1-2H3
InChIKeyZFBNGXOUAHRAMO-UHFFFAOYSA-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'}

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Related Compounds

1-(2-iodo-3-methylphenyl)octan-1-amine
CID 114030076
2-cyclopropyl-1-(2-iodo-3-methylphenyl)ethanamine
CID 103845963
1-(2-ethyl-3-methylphenyl)propan-1-amine
CID 55283477
1-(2,6-dimethylphenyl)propan-1-amine
CID 55282920
(1S)-1-(2-iodo-3-methylphenyl)prop-2-en-1-amine
CID 130706811
(1R)-1-(3-fluoro-2-methylphenyl)propan-1-amine
CID 45072383
1-[2-(2-methylphenoxy)phenyl]propan-1-amine
CID 112678413
(1R)-1-[2-(2-fluoro-3-methylphenoxy)phenyl]propan-1-amine
CID 107658799
2-[(1S)-1-aminopropyl]benzenethiol
CID 55292723
2-(1-aminopropyl)benzenethiol
CID 22286714
(2-butan-2-yl-6-methylphenyl)methanamine;ethane
CID 143860612
(1R)-1-(2,3-dimethylphenyl)propane-1,3-diamine
CID 130869283

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodo-3-methylphenyl)propan-1-amine?
The IUPAC name of 1-(2-iodo-3-methylphenyl)propan-1-amine (CID 103846034) is 1-(2-iodo-3-methylphenyl)propan-1-amine.
What is the SMILES notation for 1-(2-iodo-3-methylphenyl)propan-1-amine?
The canonical SMILES for 1-(2-iodo-3-methylphenyl)propan-1-amine is CCC(N)c1cccc(C)c1I.
What is the InChIKey of 1-(2-iodo-3-methylphenyl)propan-1-amine?
The InChIKey is ZFBNGXOUAHRAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN/c1-3-9(12)8-6-4-5-7(2)10(8)11/h4-6,9H,3,12H2,1-2H3.
What are the key properties of 1-(2-iodo-3-methylphenyl)propan-1-amine?
1-(2-iodo-3-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 1-(2-iodo-3-methylphenyl)propan-1-amine is sourced from PubChem (CID 103846034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).