N-ethyl-1-(3-iodophenyl)hexan-1-amine

C14H22IN — CID 115837554

IUPACN-ethyl-1-(3-iodophenyl)hexan-1-amine
SMILESCCCCCC(NCC)c1cccc(I)c1
InChIInChI=1S/C14H22IN/c1-3-5-6-10-14(16-4-2)12-8-7-9-13(15)11-12/h7-9,11,14,16H,3-6,10H2,1-2H3
InChIKeyZBXRIVMKZKTJCN-UHFFFAOYSA-N
MW331.24 g/mol
LogP4.52
Rot. Bonds7

About N-ethyl-1-(3-iodophenyl)hexan-1-amine

N-ethyl-1-(3-iodophenyl)hexan-1-amine (PubChem CID 115837554) has the molecular formula C14H22IN and a molecular weight of 331.24 g/mol. Its IUPAC name is N-ethyl-1-(3-iodophenyl)hexan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-iodophenyl)hexan-1-amine
PubChem CID115837554
Molecular FormulaC14H22IN
Molecular Weight331.24 g/mol
Exact Mass331.08
IUPAC NameN-ethyl-1-(3-iodophenyl)hexan-1-amine
SMILESCCCCCC(NCC)c1cccc(I)c1
InChIInChI=1S/C14H22IN/c1-3-5-6-10-14(16-4-2)12-8-7-9-13(15)11-12/h7-9,11,14,16H,3-6,10H2,1-2H3
InChIKeyZBXRIVMKZKTJCN-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 54.52
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-1-(3-iodophenyl)hex-4-yn-1-amine
CID 105037510
N-ethyl-1-[3-(trifluoromethoxy)phenyl]hexan-1-amine
CID 115854010
N-ethyl-1-(3-iodophenyl)-3-methylpentan-1-amine
CID 115846379
N-ethyl-1-(4-iodophenyl)pentan-1-amine
CID 115832720
1-(3-chloro-4-iodophenyl)-N-ethyldecan-1-amine
CID 103214873
N-ethyl-1-[3-(trifluoromethoxy)phenyl]heptan-1-amine
CID 115854011
1-(3-cyclopropyloxyphenyl)-N-ethyloctan-1-amine
CID 105051902
N-ethyl-1-(3-iodophenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 115864765
1-(3,4-diethylphenyl)-N-ethylheptan-1-amine
CID 114752651
1-(3-iodophenyl)-N,5-dimethylhexan-1-amine
CID 105028957
1-(4-chlorophenyl)-N-ethylhexan-1-amine
CID 43488947
1-(2,6-dimethylphenyl)-N-ethylhexan-1-amine
CID 114027005

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-iodophenyl)hexan-1-amine?
The IUPAC name of N-ethyl-1-(3-iodophenyl)hexan-1-amine (CID 115837554) is N-ethyl-1-(3-iodophenyl)hexan-1-amine.
What is the SMILES notation for N-ethyl-1-(3-iodophenyl)hexan-1-amine?
The canonical SMILES for N-ethyl-1-(3-iodophenyl)hexan-1-amine is CCCCCC(NCC)c1cccc(I)c1.
What is the InChIKey of N-ethyl-1-(3-iodophenyl)hexan-1-amine?
The InChIKey is ZBXRIVMKZKTJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22IN/c1-3-5-6-10-14(16-4-2)12-8-7-9-13(15)11-12/h7-9,11,14,16H,3-6,10H2,1-2H3.
What are the key properties of N-ethyl-1-(3-iodophenyl)hexan-1-amine?
N-ethyl-1-(3-iodophenyl)hexan-1-amine has a molecular weight of 331.24 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-iodophenyl)hexan-1-amine is sourced from PubChem (CID 115837554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).