1-(3-iodophenyl)-N,2-dimethylbutan-1-amine

C12H18IN — CID 105017535

IUPAC1-(3-iodophenyl)-N,2-dimethylbutan-1-amine
SMILESCCC(C)C(NC)c1cccc(I)c1
InChIInChI=1S/C12H18IN/c1-4-9(2)12(14-3)10-6-5-7-11(13)8-10/h5-9,12,14H,4H2,1-3H3
InChIKeyKJXXBWFUDXSTJT-UHFFFAOYSA-N
MW303.19 g/mol
LogP3.60
Rot. Bonds4

About 1-(3-iodophenyl)-N,2-dimethylbutan-1-amine

1-(3-iodophenyl)-N,2-dimethylbutan-1-amine (PubChem CID 105017535) has the molecular formula C12H18IN and a molecular weight of 303.19 g/mol. Its IUPAC name is 1-(3-iodophenyl)-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(3-iodophenyl)-N,2-dimethylbutan-1-amine
PubChem CID105017535
Molecular FormulaC12H18IN
Molecular Weight303.19 g/mol
Exact Mass303.05
IUPAC Name1-(3-iodophenyl)-N,2-dimethylbutan-1-amine
SMILESCCC(C)C(NC)c1cccc(I)c1
InChIInChI=1S/C12H18IN/c1-4-9(2)12(14-3)10-6-5-7-11(13)8-10/h5-9,12,14H,4H2,1-3H3
InChIKeyKJXXBWFUDXSTJT-UHFFFAOYSA-N
XLogP3.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 53.60
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-(3-iodophenyl)-N,3-dimethylpentan-1-amine
CID 115846380
N,2-dimethyl-1-(4-propan-2-ylphenyl)butan-1-amine
CID 43625326
1-(3-iodophenyl)-N-methyl-2-propoxyethanamine
CID 105008577
N,2-dimethyl-1-(3-methylphenyl)pentan-1-amine
CID 115789704
1-(3-iodophenyl)-N,5-dimethylhexan-1-amine
CID 105028957
1-(3-fluoro-4-methylphenyl)-N,2-dimethylbutan-1-amine
CID 79446498
N-ethyl-1-(3-iodophenyl)-3-methylpentan-1-amine
CID 115846379
1-[4-bromo-3-(trifluoromethyl)phenyl]-N,2-dimethylbutan-1-amine
CID 105017562
N,2-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-amine
CID 43485559
1-(difluoromethyl)-3-iodobenzene
CID 46311736
2-(1-butan-2-ylpyrazol-3-yl)-1-(3-iodophenyl)-N-methylethanamine
CID 104989834
1-(3-iodophenyl)-N-methylpent-4-yn-1-amine
CID 115859533

Frequently Asked Questions

What is the IUPAC name of 1-(3-iodophenyl)-N,2-dimethylbutan-1-amine?
The IUPAC name of 1-(3-iodophenyl)-N,2-dimethylbutan-1-amine (CID 105017535) is 1-(3-iodophenyl)-N,2-dimethylbutan-1-amine.
What is the SMILES notation for 1-(3-iodophenyl)-N,2-dimethylbutan-1-amine?
The canonical SMILES for 1-(3-iodophenyl)-N,2-dimethylbutan-1-amine is CCC(C)C(NC)c1cccc(I)c1.
What is the InChIKey of 1-(3-iodophenyl)-N,2-dimethylbutan-1-amine?
The InChIKey is KJXXBWFUDXSTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18IN/c1-4-9(2)12(14-3)10-6-5-7-11(13)8-10/h5-9,12,14H,4H2,1-3H3.
What are the key properties of 1-(3-iodophenyl)-N,2-dimethylbutan-1-amine?
1-(3-iodophenyl)-N,2-dimethylbutan-1-amine has a molecular weight of 303.19 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodophenyl)-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 105017535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).