N-[(2-ethoxy-5-iodophenyl)methyl]propan-2-amine

C12H18INO — CID 2988040

IUPACN-[(2-ethoxy-5-iodophenyl)methyl]propan-2-amine
SMILESCCOc1ccc(I)cc1CNC(C)C
InChIInChI=1S/C12H18INO/c1-4-15-12-6-5-11(13)7-10(12)8-14-9(2)3/h5-7,9,14H,4,8H2,1-3H3
InChIKeyOZFCPOBUFPLBPX-UHFFFAOYSA-N
MW319.19 g/mol
LogP3.19
Rot. Bonds5

About N-[(2-ethoxy-5-iodophenyl)methyl]propan-2-amine

N-[(2-ethoxy-5-iodophenyl)methyl]propan-2-amine (PubChem CID 2988040) has the molecular formula C12H18INO and a molecular weight of 319.19 g/mol. Its IUPAC name is N-[(2-ethoxy-5-iodophenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-ethoxy-5-iodophenyl)methyl]propan-2-amine
PubChem CID2988040
Molecular FormulaC12H18INO
Molecular Weight319.19 g/mol
Exact Mass319.04
IUPAC NameN-[(2-ethoxy-5-iodophenyl)methyl]propan-2-amine
SMILESCCOc1ccc(I)cc1CNC(C)C
InChIInChI=1S/C12H18INO/c1-4-15-12-6-5-11(13)7-10(12)8-14-9(2)3/h5-7,9,14H,4,8H2,1-3H3
InChIKeyOZFCPOBUFPLBPX-UHFFFAOYSA-N
XLogP3.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 53.19
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-[(2-ethoxy-5-methoxyphenyl)methyl]propan-2-amine
CID 43276423
N-[[2-(ethoxymethoxy)-5-methoxyphenyl]methyl]propan-2-amine
CID 65364769
N-[(2-chloro-4-iodophenyl)methyl]propan-2-amine
CID 130669925
N-[(5-bromo-2-propoxyphenyl)methyl]propan-2-amine
CID 29224796
N-[(2-butoxy-5-chlorophenyl)methyl]propan-2-amine
CID 43278029
N-[[5-chloro-2-(2-methylbutoxy)phenyl]methyl]propan-2-amine
CID 63501502
1-bromo-3-(2-ethoxy-5-iodophenyl)propan-2-one
CID 134616284
N-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 43278204
1-ethoxy-2-fluoro-4-iodobenzene
CID 50998221
N,N-dimethyl-3-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]propanamide
CID 63323400
N-[[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 63486234
1-(2-ethoxy-5-iodophenyl)pyrrolidine
CID 168515191

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxy-5-iodophenyl)methyl]propan-2-amine?
The IUPAC name of N-[(2-ethoxy-5-iodophenyl)methyl]propan-2-amine (CID 2988040) is N-[(2-ethoxy-5-iodophenyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-ethoxy-5-iodophenyl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-ethoxy-5-iodophenyl)methyl]propan-2-amine is CCOc1ccc(I)cc1CNC(C)C.
What is the InChIKey of N-[(2-ethoxy-5-iodophenyl)methyl]propan-2-amine?
The InChIKey is OZFCPOBUFPLBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18INO/c1-4-15-12-6-5-11(13)7-10(12)8-14-9(2)3/h5-7,9,14H,4,8H2,1-3H3.
What are the key properties of N-[(2-ethoxy-5-iodophenyl)methyl]propan-2-amine?
N-[(2-ethoxy-5-iodophenyl)methyl]propan-2-amine has a molecular weight of 319.19 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxy-5-iodophenyl)methyl]propan-2-amine is sourced from PubChem (CID 2988040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).