N-[(5-ethoxy-2-iodophenyl)methyl]-1-phenylmethanamine

C16H18INO — CID 19615475

IUPACN-[(5-ethoxy-2-iodophenyl)methyl]-1-phenylmethanamine
SMILESCCOc1ccc(I)c(CNCc2ccccc2)c1
InChIInChI=1S/C16H18INO/c1-2-19-15-8-9-16(17)14(10-15)12-18-11-13-6-4-3-5-7-13/h3-10,18H,2,11-12H2,1H3
InChIKeyWEEIXHDROAMZLT-UHFFFAOYSA-N
MW367.23 g/mol
LogP3.98
Rot. Bonds6

About N-[(5-ethoxy-2-iodophenyl)methyl]-1-phenylmethanamine

N-[(5-ethoxy-2-iodophenyl)methyl]-1-phenylmethanamine (PubChem CID 19615475) has the molecular formula C16H18INO and a molecular weight of 367.23 g/mol. Its IUPAC name is N-[(5-ethoxy-2-iodophenyl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(5-ethoxy-2-iodophenyl)methyl]-1-phenylmethanamine
PubChem CID19615475
Molecular FormulaC16H18INO
Molecular Weight367.23 g/mol
Exact Mass367.04
IUPAC NameN-[(5-ethoxy-2-iodophenyl)methyl]-1-phenylmethanamine
SMILESCCOc1ccc(I)c(CNCc2ccccc2)c1
InChIInChI=1S/C16H18INO/c1-2-19-15-8-9-16(17)14(10-15)12-18-11-13-6-4-3-5-7-13/h3-10,18H,2,11-12H2,1H3
InChIKeyWEEIXHDROAMZLT-UHFFFAOYSA-N
XLogP3.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 53.98
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

1-(4-ethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]methanamine
CID 60776460
1-(4-ethoxyphenyl)-N-[(4-ethoxyphenyl)methyl]methanamine;hydrochloride
CID 170995213
1-(4-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 738542
[3-[[(4-ethoxyphenyl)methylamino]methyl]phenyl]methanol
CID 103648633
4-ethoxy-1-iodo-2-phenylbenzene
CID 156900261
N-[(5-chloro-2-ethoxyphenyl)methyl]-1-phenylmethanamine
CID 4717131
N-[(2,4-dipentoxyphenyl)methyl]-1-phenylmethanamine
CID 54804142
4-[[(3-ethoxyphenyl)methylamino]methyl]benzene-1,3-diol
CID 60873721
4-[[(3-ethoxyphenyl)methylamino]methyl]phenol
CID 60777598
N-[(3-ethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine
CID 2227150
N-[(2,4-dihexoxyphenyl)methyl]-1-phenylmethanamine
CID 54804143
N-[(2,4-diethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine
CID 54803870

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethoxy-2-iodophenyl)methyl]-1-phenylmethanamine?
The IUPAC name of N-[(5-ethoxy-2-iodophenyl)methyl]-1-phenylmethanamine (CID 19615475) is N-[(5-ethoxy-2-iodophenyl)methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[(5-ethoxy-2-iodophenyl)methyl]-1-phenylmethanamine?
The canonical SMILES for N-[(5-ethoxy-2-iodophenyl)methyl]-1-phenylmethanamine is CCOc1ccc(I)c(CNCc2ccccc2)c1.
What is the InChIKey of N-[(5-ethoxy-2-iodophenyl)methyl]-1-phenylmethanamine?
The InChIKey is WEEIXHDROAMZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18INO/c1-2-19-15-8-9-16(17)14(10-15)12-18-11-13-6-4-3-5-7-13/h3-10,18H,2,11-12H2,1H3.
What are the key properties of N-[(5-ethoxy-2-iodophenyl)methyl]-1-phenylmethanamine?
N-[(5-ethoxy-2-iodophenyl)methyl]-1-phenylmethanamine has a molecular weight of 367.23 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethoxy-2-iodophenyl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 19615475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).