1-(4-iodophenyl)-3,4-dimethylpentan-2-amine

C13H20IN — CID 115864367

IUPAC1-(4-iodophenyl)-3,4-dimethylpentan-2-amine
SMILESCC(C)C(C)C(N)Cc1ccc(I)cc1
InChIInChI=1S/C13H20IN/c1-9(2)10(3)13(15)8-11-4-6-12(14)7-5-11/h4-7,9-10,13H,8,15H2,1-3H3
InChIKeyMSYVJHINVVYMSI-UHFFFAOYSA-N
MW317.21 g/mol
LogP3.45
Rot. Bonds4

About 1-(4-iodophenyl)-3,4-dimethylpentan-2-amine

1-(4-iodophenyl)-3,4-dimethylpentan-2-amine (PubChem CID 115864367) has the molecular formula C13H20IN and a molecular weight of 317.21 g/mol. Its IUPAC name is 1-(4-iodophenyl)-3,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-(4-iodophenyl)-3,4-dimethylpentan-2-amine
PubChem CID115864367
Molecular FormulaC13H20IN
Molecular Weight317.21 g/mol
Exact Mass317.06
IUPAC Name1-(4-iodophenyl)-3,4-dimethylpentan-2-amine
SMILESCC(C)C(C)C(N)Cc1ccc(I)cc1
InChIInChI=1S/C13H20IN/c1-9(2)10(3)13(15)8-11-4-6-12(14)7-5-11/h4-7,9-10,13H,8,15H2,1-3H3
InChIKeyMSYVJHINVVYMSI-UHFFFAOYSA-N
XLogP3.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.21
LogP ≤ 53.45
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-(3,5-dimethylphenyl)-3,4-dimethylpentan-2-amine
CID 115800723
6-(4-iodophenyl)-2-methylhexan-3-amine
CID 65489366
1-(3-bromo-4-fluorophenyl)-3,4-dimethylpentan-2-amine
CID 115818971
1,2-bis(4-iodophenyl)ethanamine
CID 115863933
1-(4-iodophenyl)pentan-2-amine
CID 65478921
1-(4-chlorophenyl)-3-methylbutan-2-amine
CID 50986534
4-amino-1-(4-iodophenyl)-5-methylhexan-2-one
CID 116606384
2-(4-ethylphenyl)-1-(4-iodophenyl)ethanamine
CID 115802841
2-(4-iodophenyl)-1-(4-methylphenyl)ethanamine
CID 65477285
(2S)-1-(4-iodophenyl)-N-propan-2-ylpropan-2-amine
CID 6603875
[(2S)-1-(4-iodophenyl)propan-2-yl]-propan-2-ylazanium
CID 6919054
2-amino-3-(4-iodophenyl)propanenitrile
CID 67269267

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-3,4-dimethylpentan-2-amine?
The IUPAC name of 1-(4-iodophenyl)-3,4-dimethylpentan-2-amine (CID 115864367) is 1-(4-iodophenyl)-3,4-dimethylpentan-2-amine.
What is the SMILES notation for 1-(4-iodophenyl)-3,4-dimethylpentan-2-amine?
The canonical SMILES for 1-(4-iodophenyl)-3,4-dimethylpentan-2-amine is CC(C)C(C)C(N)Cc1ccc(I)cc1.
What is the InChIKey of 1-(4-iodophenyl)-3,4-dimethylpentan-2-amine?
The InChIKey is MSYVJHINVVYMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20IN/c1-9(2)10(3)13(15)8-11-4-6-12(14)7-5-11/h4-7,9-10,13H,8,15H2,1-3H3.
What are the key properties of 1-(4-iodophenyl)-3,4-dimethylpentan-2-amine?
1-(4-iodophenyl)-3,4-dimethylpentan-2-amine has a molecular weight of 317.21 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-3,4-dimethylpentan-2-amine is sourced from PubChem (CID 115864367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).