N-ethyl-1-(4-iodophenyl)-3-propan-2-yloxypropan-2-amine

C14H22INO — CID 105152021

IUPACN-ethyl-1-(4-iodophenyl)-3-propan-2-yloxypropan-2-amine
SMILESCCNC(COC(C)C)Cc1ccc(I)cc1
InChIInChI=1S/C14H22INO/c1-4-16-14(10-17-11(2)3)9-12-5-7-13(15)8-6-12/h5-8,11,14,16H,4,9-10H2,1-3H3
InChIKeyXSZLNJQECSCNMN-UHFFFAOYSA-N
MW347.24 g/mol
LogP3.24
Rot. Bonds7

About N-ethyl-1-(4-iodophenyl)-3-propan-2-yloxypropan-2-amine

N-ethyl-1-(4-iodophenyl)-3-propan-2-yloxypropan-2-amine (PubChem CID 105152021) has the molecular formula C14H22INO and a molecular weight of 347.24 g/mol. Its IUPAC name is N-ethyl-1-(4-iodophenyl)-3-propan-2-yloxypropan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-iodophenyl)-3-propan-2-yloxypropan-2-amine
PubChem CID105152021
Molecular FormulaC14H22INO
Molecular Weight347.24 g/mol
Exact Mass347.07
IUPAC NameN-ethyl-1-(4-iodophenyl)-3-propan-2-yloxypropan-2-amine
SMILESCCNC(COC(C)C)Cc1ccc(I)cc1
InChIInChI=1S/C14H22INO/c1-4-16-14(10-17-11(2)3)9-12-5-7-13(15)8-6-12/h5-8,11,14,16H,4,9-10H2,1-3H3
InChIKeyXSZLNJQECSCNMN-UHFFFAOYSA-N
XLogP3.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.24
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-1-(furan-3-yl)-3-propan-2-yloxypropan-2-amine
CID 105177781
N-ethyl-1-(4-iodophenyl)heptan-2-amine
CID 115864019
1-(4-ethylphenyl)-N-methyl-3-propan-2-yloxypropan-2-amine
CID 105101340
N-ethyl-1-(1-methylpyrazol-4-yl)-3-propan-2-yloxypropan-2-amine
CID 105114200
1-propan-2-yloxy-N-propyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 105013266
N-ethyl-1-propan-2-yloxy-3-thiophen-2-ylpropan-2-amine
CID 79574610
1-(5-chlorothiophen-2-yl)-N-ethyl-3-propan-2-yloxypropan-2-amine
CID 105135378
N-ethyl-1,2-bis(4-iodophenyl)ethanamine
CID 115864070
1-(2,3-difluorophenyl)-N-ethyl-3-(4-iodophenyl)propan-2-amine
CID 115864310
1-(3,4-difluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine
CID 105013377
N-ethyl-1-(4-iodophenyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 115844176
N-ethyl-4-methyl-1-propan-2-yloxypentan-2-amine
CID 79574126

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-iodophenyl)-3-propan-2-yloxypropan-2-amine?
The IUPAC name of N-ethyl-1-(4-iodophenyl)-3-propan-2-yloxypropan-2-amine (CID 105152021) is N-ethyl-1-(4-iodophenyl)-3-propan-2-yloxypropan-2-amine.
What is the SMILES notation for N-ethyl-1-(4-iodophenyl)-3-propan-2-yloxypropan-2-amine?
The canonical SMILES for N-ethyl-1-(4-iodophenyl)-3-propan-2-yloxypropan-2-amine is CCNC(COC(C)C)Cc1ccc(I)cc1.
What is the InChIKey of N-ethyl-1-(4-iodophenyl)-3-propan-2-yloxypropan-2-amine?
The InChIKey is XSZLNJQECSCNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22INO/c1-4-16-14(10-17-11(2)3)9-12-5-7-13(15)8-6-12/h5-8,11,14,16H,4,9-10H2,1-3H3.
What are the key properties of N-ethyl-1-(4-iodophenyl)-3-propan-2-yloxypropan-2-amine?
N-ethyl-1-(4-iodophenyl)-3-propan-2-yloxypropan-2-amine has a molecular weight of 347.24 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-iodophenyl)-3-propan-2-yloxypropan-2-amine is sourced from PubChem (CID 105152021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).