6-(4-iodophenyl)-2-methylhexan-3-amine

C13H20IN — CID 65489366

IUPAC6-(4-iodophenyl)-2-methylhexan-3-amine
SMILESCC(C)C(N)CCCc1ccc(I)cc1
InChIInChI=1S/C13H20IN/c1-10(2)13(15)5-3-4-11-6-8-12(14)9-7-11/h6-10,13H,3-5,15H2,1-2H3
InChIKeyNQNOTEORNWMWES-UHFFFAOYSA-N
MW317.21 g/mol
LogP3.60
Rot. Bonds5

About 6-(4-iodophenyl)-2-methylhexan-3-amine

6-(4-iodophenyl)-2-methylhexan-3-amine (PubChem CID 65489366) has the molecular formula C13H20IN and a molecular weight of 317.21 g/mol. Its IUPAC name is 6-(4-iodophenyl)-2-methylhexan-3-amine.

Molecular Properties

Compound Name6-(4-iodophenyl)-2-methylhexan-3-amine
PubChem CID65489366
Molecular FormulaC13H20IN
Molecular Weight317.21 g/mol
Exact Mass317.06
IUPAC Name6-(4-iodophenyl)-2-methylhexan-3-amine
SMILESCC(C)C(N)CCCc1ccc(I)cc1
InChIInChI=1S/C13H20IN/c1-10(2)13(15)5-3-4-11-6-8-12(14)9-7-11/h6-10,13H,3-5,15H2,1-2H3
InChIKeyNQNOTEORNWMWES-UHFFFAOYSA-N
XLogP3.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.21
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

6-(4-tert-butylphenyl)-2-methylhexan-3-amine
CID 64504626
6-(4-methoxyphenyl)-2-methylhexan-3-amine
CID 83932077
6-(4-iodophenyl)-2-methylhexan-3-ol
CID 65490172
6-(2,5-diethylphenyl)-2-methylhexan-3-amine
CID 83920903
1-(4-iodophenyl)-3,4-dimethylpentan-2-amine
CID 115864367
1-(3-chloro-4-methylpentyl)-4-iodobenzene
CID 65478133
2-methyl-6-(2-methylphenyl)hexan-3-amine
CID 64505350
6-(5-ethyl-2-methoxyphenyl)-2-methylhexan-3-amine
CID 83942665
6-(5-ethyl-2-pyridinyl)-2-methylhexan-3-amine
CID 79737589
2,9-dimethyldecane-3,8-diamine
CID 87559181
6-(2,4-dimethylphenyl)-2-methylhexan-3-amine
CID 83927989
4-amino-1-(4-iodophenyl)-5-methylhexan-2-one
CID 116606384

Frequently Asked Questions

What is the IUPAC name of 6-(4-iodophenyl)-2-methylhexan-3-amine?
The IUPAC name of 6-(4-iodophenyl)-2-methylhexan-3-amine (CID 65489366) is 6-(4-iodophenyl)-2-methylhexan-3-amine.
What is the SMILES notation for 6-(4-iodophenyl)-2-methylhexan-3-amine?
The canonical SMILES for 6-(4-iodophenyl)-2-methylhexan-3-amine is CC(C)C(N)CCCc1ccc(I)cc1.
What is the InChIKey of 6-(4-iodophenyl)-2-methylhexan-3-amine?
The InChIKey is NQNOTEORNWMWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20IN/c1-10(2)13(15)5-3-4-11-6-8-12(14)9-7-11/h6-10,13H,3-5,15H2,1-2H3.
What are the key properties of 6-(4-iodophenyl)-2-methylhexan-3-amine?
6-(4-iodophenyl)-2-methylhexan-3-amine has a molecular weight of 317.21 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-iodophenyl)-2-methylhexan-3-amine is sourced from PubChem (CID 65489366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).