1-(2-iodophenyl)-3-methylbutan-1-amine

C11H16IN — CID 115782664

IUPAC1-(2-iodophenyl)-3-methylbutan-1-amine
SMILESCC(C)CC(N)c1ccccc1I
InChIInChI=1S/C11H16IN/c1-8(2)7-11(13)9-5-3-4-6-10(9)12/h3-6,8,11H,7,13H2,1-2H3
InChIKeyVTPMAYJBESOSTA-UHFFFAOYSA-N
MW289.16 g/mol
LogP3.34
Rot. Bonds3

About 1-(2-iodophenyl)-3-methylbutan-1-amine

1-(2-iodophenyl)-3-methylbutan-1-amine (PubChem CID 115782664) has the molecular formula C11H16IN and a molecular weight of 289.16 g/mol. Its IUPAC name is 1-(2-iodophenyl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(2-iodophenyl)-3-methylbutan-1-amine
PubChem CID115782664
Molecular FormulaC11H16IN
Molecular Weight289.16 g/mol
Exact Mass289.03
IUPAC Name1-(2-iodophenyl)-3-methylbutan-1-amine
SMILESCC(C)CC(N)c1ccccc1I
InChIInChI=1S/C11H16IN/c1-8(2)7-11(13)9-5-3-4-6-10(9)12/h3-6,8,11H,7,13H2,1-2H3
InChIKeyVTPMAYJBESOSTA-UHFFFAOYSA-N
XLogP3.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 53.34
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

(1S)-1-(2-iodophenyl)butan-1-amine;hydrochloride
CID 171230114
(1S,2R)-1-amino-1-(2-iodophenyl)propan-2-ol;hydrochloride
CID 171269903
1-(2-bromo-3-methylphenyl)-3-methylbutan-1-amine
CID 107984716
(1R)-1-(2-iodophenyl)butane-1,4-diamine
CID 171210506
(3S)-3-amino-3-(2-iodophenyl)propan-1-ol;hydrochloride
CID 171230144
1-(2,3-dimethylphenyl)-3-methylbutan-1-amine
CID 584234
(1R)-3-methyl-1-phenylbutan-1-amine
CID 2496575
(1R,2S)-1-amino-1-(2-iodophenyl)-5-methylhexan-2-ol
CID 171264246
3-[(1S)-1-amino-3-methylbutyl]benzene-1,2-diol;hydrochloride
CID 171220532
1-(2-iodophenyl)pent-4-en-1-amine
CID 104987635
(1S)-3-methyl-1-phenanthren-9-ylbutan-1-amine
CID 171232441
1-[2-(2-methoxyethoxy)phenyl]-3-methylbutan-1-amine
CID 113438261

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodophenyl)-3-methylbutan-1-amine?
The IUPAC name of 1-(2-iodophenyl)-3-methylbutan-1-amine (CID 115782664) is 1-(2-iodophenyl)-3-methylbutan-1-amine.
What is the SMILES notation for 1-(2-iodophenyl)-3-methylbutan-1-amine?
The canonical SMILES for 1-(2-iodophenyl)-3-methylbutan-1-amine is CC(C)CC(N)c1ccccc1I.
What is the InChIKey of 1-(2-iodophenyl)-3-methylbutan-1-amine?
The InChIKey is VTPMAYJBESOSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN/c1-8(2)7-11(13)9-5-3-4-6-10(9)12/h3-6,8,11H,7,13H2,1-2H3.
What are the key properties of 1-(2-iodophenyl)-3-methylbutan-1-amine?
1-(2-iodophenyl)-3-methylbutan-1-amine has a molecular weight of 289.16 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodophenyl)-3-methylbutan-1-amine is sourced from PubChem (CID 115782664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).