1-(4-iodophenyl)-N-methylhexan-2-amine

C13H20IN — CID 79405235

IUPAC1-(4-iodophenyl)-N-methylhexan-2-amine
SMILESCCCCC(Cc1ccc(I)cc1)NC
InChIInChI=1S/C13H20IN/c1-3-4-5-13(15-2)10-11-6-8-12(14)9-7-11/h6-9,13,15H,3-5,10H2,1-2H3
InChIKeyQMSUVKKEDFMBHL-UHFFFAOYSA-N
MW317.21 g/mol
LogP3.61
Rot. Bonds6

About 1-(4-iodophenyl)-N-methylhexan-2-amine

1-(4-iodophenyl)-N-methylhexan-2-amine (PubChem CID 79405235) has the molecular formula C13H20IN and a molecular weight of 317.21 g/mol. Its IUPAC name is 1-(4-iodophenyl)-N-methylhexan-2-amine.

Molecular Properties

Compound Name1-(4-iodophenyl)-N-methylhexan-2-amine
PubChem CID79405235
Molecular FormulaC13H20IN
Molecular Weight317.21 g/mol
Exact Mass317.06
IUPAC Name1-(4-iodophenyl)-N-methylhexan-2-amine
SMILESCCCCC(Cc1ccc(I)cc1)NC
InChIInChI=1S/C13H20IN/c1-3-4-5-13(15-2)10-11-6-8-12(14)9-7-11/h6-9,13,15H,3-5,10H2,1-2H3
InChIKeyQMSUVKKEDFMBHL-UHFFFAOYSA-N
XLogP3.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.21
LogP ≤ 53.61
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-(4-iodophenyl)-N-methylnonan-2-amine
CID 115864388
1-(4-tert-butylphenyl)-N-methylhexan-2-amine
CID 79405338
N-ethyl-1-(4-iodophenyl)heptan-2-amine
CID 115864019
N-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine
CID 55040773
1-(4-iodophenyl)-N-propyldecan-2-amine
CID 115864004
N-methyl-1-phenyldecan-2-amine
CID 63412341
1-(4-methoxyphenyl)-N-methyldecan-2-amine
CID 63416962
N-methyl-1-pyridin-4-yldecan-2-amine
CID 62605644
N-methyl-1-[4-(trifluoromethyl)phenyl]octan-2-amine
CID 114752994
(3R)-4-(4-iodophenyl)-3-(methylamino)butanal
CID 166917322
1-(4-iodophenyl)-N-methylpentan-1-amine
CID 115832799
1-(4-bromophenyl)-N-methylpentan-2-amine
CID 60818837

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-N-methylhexan-2-amine?
The IUPAC name of 1-(4-iodophenyl)-N-methylhexan-2-amine (CID 79405235) is 1-(4-iodophenyl)-N-methylhexan-2-amine.
What is the SMILES notation for 1-(4-iodophenyl)-N-methylhexan-2-amine?
The canonical SMILES for 1-(4-iodophenyl)-N-methylhexan-2-amine is CCCCC(Cc1ccc(I)cc1)NC.
What is the InChIKey of 1-(4-iodophenyl)-N-methylhexan-2-amine?
The InChIKey is QMSUVKKEDFMBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20IN/c1-3-4-5-13(15-2)10-11-6-8-12(14)9-7-11/h6-9,13,15H,3-5,10H2,1-2H3.
What are the key properties of 1-(4-iodophenyl)-N-methylhexan-2-amine?
1-(4-iodophenyl)-N-methylhexan-2-amine has a molecular weight of 317.21 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-N-methylhexan-2-amine is sourced from PubChem (CID 79405235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).