3-(4-iodophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine

C15H24IN — CID 79830112

IUPAC3-(4-iodophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCCC(C)(C)c1ccc(I)cc1
InChIInChI=1S/C15H24IN/c1-12(2)11-17-10-9-15(3,4)13-5-7-14(16)8-6-13/h5-8,12,17H,9-11H2,1-4H3
InChIKeyXWBXHADOUXCCBP-UHFFFAOYSA-N
MW345.27 g/mol
LogP4.20
Rot. Bonds6

About 3-(4-iodophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine

3-(4-iodophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 79830112) has the molecular formula C15H24IN and a molecular weight of 345.27 g/mol. Its IUPAC name is 3-(4-iodophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name3-(4-iodophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
PubChem CID79830112
Molecular FormulaC15H24IN
Molecular Weight345.27 g/mol
Exact Mass345.10
IUPAC Name3-(4-iodophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCCC(C)(C)c1ccc(I)cc1
InChIInChI=1S/C15H24IN/c1-12(2)11-17-10-9-15(3,4)13-5-7-14(16)8-6-13/h5-8,12,17H,9-11H2,1-4H3
InChIKeyXWBXHADOUXCCBP-UHFFFAOYSA-N
XLogP4.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-(4-iodophenyl)-3-methylbutan-1-amine
CID 79830111
3-(2,3-dihydro-1H-inden-5-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79830391
3-methyl-N-(2-methylpropyl)-3-thiophen-2-ylbutan-1-amine
CID 79830202
3-(4-chloro-3-methoxyphenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 81033271
N-ethyl-3-methyl-3-(4-propan-2-ylphenyl)butan-1-amine
CID 79830405
3-(3-chlorothiophen-2-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 80531932
3-(3,4-dihydro-2H-chromen-6-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79830322
3-(5-fluoro-2-methylphenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 81035050
3-(3-bromofuran-2-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 81034088
4-[4-(2-methylbutan-2-yl)phenyl]-N-(2-methylpropyl)butan-1-amine
CID 66258059
3-(2,5-difluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79830832
3-methyl-N-(2-methylpropyl)-3-(2,4,5-trifluorophenyl)butan-1-amine
CID 103304899

Frequently Asked Questions

What is the IUPAC name of 3-(4-iodophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 3-(4-iodophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine (CID 79830112) is 3-(4-iodophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 3-(4-iodophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 3-(4-iodophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine is CC(C)CNCCC(C)(C)c1ccc(I)cc1.
What is the InChIKey of 3-(4-iodophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is XWBXHADOUXCCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24IN/c1-12(2)11-17-10-9-15(3,4)13-5-7-14(16)8-6-13/h5-8,12,17H,9-11H2,1-4H3.
What are the key properties of 3-(4-iodophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine?
3-(4-iodophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 345.27 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-iodophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 79830112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).