N-[(3-iodophenyl)-(4-methoxyphenyl)methyl]ethanamine

C16H18INO — CID 43489185

IUPACN-[(3-iodophenyl)-(4-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)cc1)c1cccc(I)c1
InChIInChI=1S/C16H18INO/c1-3-18-16(13-5-4-6-14(17)11-13)12-7-9-15(19-2)10-8-12/h4-11,16,18H,3H2,1-2H3
InChIKeyUDTTTZGAYOLZQM-UHFFFAOYSA-N
MW367.23 g/mol
LogP4.00
Rot. Bonds5

About N-[(3-iodophenyl)-(4-methoxyphenyl)methyl]ethanamine

N-[(3-iodophenyl)-(4-methoxyphenyl)methyl]ethanamine (PubChem CID 43489185) has the molecular formula C16H18INO and a molecular weight of 367.23 g/mol. Its IUPAC name is N-[(3-iodophenyl)-(4-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-iodophenyl)-(4-methoxyphenyl)methyl]ethanamine
PubChem CID43489185
Molecular FormulaC16H18INO
Molecular Weight367.23 g/mol
Exact Mass367.04
IUPAC NameN-[(3-iodophenyl)-(4-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)cc1)c1cccc(I)c1
InChIInChI=1S/C16H18INO/c1-3-18-16(13-5-4-6-14(17)11-13)12-7-9-15(19-2)10-8-12/h4-11,16,18H,3H2,1-2H3
InChIKeyUDTTTZGAYOLZQM-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(3-iodophenyl)-(4-methoxyphenyl)methyl]ethanamine 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

N-[(4-ethoxyphenyl)-(3-iodophenyl)methyl]ethanamine
CID 43489415
N-[(4-ethoxyphenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 43489444
N-[(3,4-diethylphenyl)-(3-iodophenyl)methyl]ethanamine
CID 115482284
N-ethyl-1-(3-iodophenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 115864765
N-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 43489198
N-[(4-ethylphenyl)-(4-methoxyphenyl)methyl]ethanamine
CID 43489197
N-[(3-iodophenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 115854960
N-[(3,5-difluorophenyl)-(4-methoxyphenyl)methyl]ethanamine
CID 43489212
2-ethoxy-N-[(4-methoxyphenyl)-phenylmethyl]ethanamine
CID 43403754
N-[(3-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine
CID 60797781
N-[(3-chlorophenyl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 43495020
N-[(2,3-dichlorophenyl)-(3-iodophenyl)methyl]ethanamine
CID 115851391

Frequently Asked Questions

What is the IUPAC name of N-[(3-iodophenyl)-(4-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-iodophenyl)-(4-methoxyphenyl)methyl]ethanamine (CID 43489185) is N-[(3-iodophenyl)-(4-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-iodophenyl)-(4-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-iodophenyl)-(4-methoxyphenyl)methyl]ethanamine is CCNC(c1ccc(OC)cc1)c1cccc(I)c1.
What is the InChIKey of N-[(3-iodophenyl)-(4-methoxyphenyl)methyl]ethanamine?
The InChIKey is UDTTTZGAYOLZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18INO/c1-3-18-16(13-5-4-6-14(17)11-13)12-7-9-15(19-2)10-8-12/h4-11,16,18H,3H2,1-2H3.
What are the key properties of N-[(3-iodophenyl)-(4-methoxyphenyl)methyl]ethanamine?
N-[(3-iodophenyl)-(4-methoxyphenyl)methyl]ethanamine has a molecular weight of 367.23 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-iodophenyl)-(4-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 43489185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).