ethane;N-iodo-1-(4-methoxyphenyl)methanamine

C10H16INO — CID 142382613

IUPACethane;N-iodo-1-(4-methoxyphenyl)methanamine
SMILESCC.COc1ccc(CNI)cc1
InChIInChI=1S/C8H10INO.C2H6/c1-11-8-4-2-7(3-5-8)6-10-9;1-2/h2-5,10H,6H2,1H3;1-2H3
InChIKeyYTYHHOKPVMYGSF-UHFFFAOYSA-N
MW293.15 g/mol
LogP3.16
Rot. Bonds3

About ethane;N-iodo-1-(4-methoxyphenyl)methanamine

ethane;N-iodo-1-(4-methoxyphenyl)methanamine (PubChem CID 142382613) has the molecular formula C10H16INO and a molecular weight of 293.15 g/mol. Its IUPAC name is ethane;N-iodo-1-(4-methoxyphenyl)methanamine.

Molecular Properties

Compound Nameethane;N-iodo-1-(4-methoxyphenyl)methanamine
PubChem CID142382613
Molecular FormulaC10H16INO
Molecular Weight293.15 g/mol
Exact Mass293.03
IUPAC Nameethane;N-iodo-1-(4-methoxyphenyl)methanamine
SMILESCC.COc1ccc(CNI)cc1
InChIInChI=1S/C8H10INO.C2H6/c1-11-8-4-2-7(3-5-8)6-10-9;1-2/h2-5,10H,6H2,1H3;1-2H3
InChIKeyYTYHHOKPVMYGSF-UHFFFAOYSA-N
XLogP3.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;N-iodo-1-(4-methoxyphenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;dihydrochloride
CID 67859421
N-(bromomethyl)-1-(4-methoxyphenyl)methanamine
CID 115261836
ethane;formaldehyde;1-(4-methoxyphenyl)-N-methylmethanamine
CID 142914034
N'-[(4-methoxyphenyl)methyl]-N-[2-[(4-methoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;hydrochloride
CID 54604345
N-[(4-methoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 115594150
N-[(4-methoxyphenyl)methyl]-2-methylsulfanylethanamine
CID 60658332
N-[(3,5-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 775262
ethane;(4-methoxyphenyl)methanethiol
CID 143963839
5-iodo-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 115620538
[(4-methoxyphenyl)methylamino]methanone;yttrium
CID 163392787
N-(hydrazinylmethyl)-1-(4-methoxyphenyl)methanamine
CID 115260736
2-[(4-methoxyphenyl)methylamino]ethanethiol
CID 14306201

Frequently Asked Questions

What is the IUPAC name of ethane;N-iodo-1-(4-methoxyphenyl)methanamine?
The IUPAC name of ethane;N-iodo-1-(4-methoxyphenyl)methanamine (CID 142382613) is ethane;N-iodo-1-(4-methoxyphenyl)methanamine.
What is the SMILES notation for ethane;N-iodo-1-(4-methoxyphenyl)methanamine?
The canonical SMILES for ethane;N-iodo-1-(4-methoxyphenyl)methanamine is CC.COc1ccc(CNI)cc1.
What is the InChIKey of ethane;N-iodo-1-(4-methoxyphenyl)methanamine?
The InChIKey is YTYHHOKPVMYGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10INO.C2H6/c1-11-8-4-2-7(3-5-8)6-10-9;1-2/h2-5,10H,6H2,1H3;1-2H3.
What are the key properties of ethane;N-iodo-1-(4-methoxyphenyl)methanamine?
ethane;N-iodo-1-(4-methoxyphenyl)methanamine has a molecular weight of 293.15 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-iodo-1-(4-methoxyphenyl)methanamine is sourced from PubChem (CID 142382613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).