4-(2-iodoethoxymethyl)-N-methylaniline

C10H14INO — CID 126607172

IUPAC4-(2-iodoethoxymethyl)-N-methylaniline
SMILESCNc1ccc(COCCI)cc1
InChIInChI=1S/C10H14INO/c1-12-10-4-2-9(3-5-10)8-13-7-6-11/h2-5,12H,6-8H2,1H3
InChIKeyWDNQZWDMUSIJAC-UHFFFAOYSA-N
MW291.13 g/mol
LogP2.68
Rot. Bonds5

About 4-(2-iodoethoxymethyl)-N-methylaniline

4-(2-iodoethoxymethyl)-N-methylaniline (PubChem CID 126607172) has the molecular formula C10H14INO and a molecular weight of 291.13 g/mol. Its IUPAC name is 4-(2-iodoethoxymethyl)-N-methylaniline.

Molecular Properties

Compound Name4-(2-iodoethoxymethyl)-N-methylaniline
PubChem CID126607172
Molecular FormulaC10H14INO
Molecular Weight291.13 g/mol
Exact Mass291.01
IUPAC Name4-(2-iodoethoxymethyl)-N-methylaniline
SMILESCNc1ccc(COCCI)cc1
InChIInChI=1S/C10H14INO/c1-12-10-4-2-9(3-5-10)8-13-7-6-11/h2-5,12H,6-8H2,1H3
InChIKeyWDNQZWDMUSIJAC-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.13
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-iodoethoxymethylbenzene
CID 10355314
N-methyl-4-[[4-(methylamino)phenyl]methyl]aniline
CID 15735
1,3-bis(2-iodoethoxymethyl)benzene
CID 139952966
N-methyl-4-[(3-methyloxiran-2-yl)oxymethyl]aniline
CID 146186265
CID 169190312
CID 169190312
N-[4-(propoxymethyl)phenyl]formamide
CID 155742417
[4-[4-(methylamino)phenyl]phenyl]methyl acetate
CID 160628710
[4-[2-(methylamino)ethoxymethyl]phenyl]methanol
CID 106937841
ethane;[4-(methylamino)phenyl]methanethiol
CID 143570077
ethane;4-ethyl-N-methylaniline;methane
CID 142034195
[4-(methylamino)phenyl]methyl 2-sulfanylpropanoate
CID 139308060
N-methyl-4-phenylmethoxyaniline;hydrochloride
CID 75481675

Frequently Asked Questions

What is the IUPAC name of 4-(2-iodoethoxymethyl)-N-methylaniline?
The IUPAC name of 4-(2-iodoethoxymethyl)-N-methylaniline (CID 126607172) is 4-(2-iodoethoxymethyl)-N-methylaniline.
What is the SMILES notation for 4-(2-iodoethoxymethyl)-N-methylaniline?
The canonical SMILES for 4-(2-iodoethoxymethyl)-N-methylaniline is CNc1ccc(COCCI)cc1.
What is the InChIKey of 4-(2-iodoethoxymethyl)-N-methylaniline?
The InChIKey is WDNQZWDMUSIJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14INO/c1-12-10-4-2-9(3-5-10)8-13-7-6-11/h2-5,12H,6-8H2,1H3.
What are the key properties of 4-(2-iodoethoxymethyl)-N-methylaniline?
4-(2-iodoethoxymethyl)-N-methylaniline has a molecular weight of 291.13 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-iodoethoxymethyl)-N-methylaniline is sourced from PubChem (CID 126607172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).