N-[[4-[(4-iodophenyl)methoxy]phenyl]methyl]ethanamine

C16H18INO — CID 65499942

IUPACN-[[4-[(4-iodophenyl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(OCc2ccc(I)cc2)cc1
InChIInChI=1S/C16H18INO/c1-2-18-11-13-5-9-16(10-6-13)19-12-14-3-7-15(17)8-4-14/h3-10,18H,2,11-12H2,1H3
InChIKeyVGIKOYDVTYHEBU-UHFFFAOYSA-N
MW367.23 g/mol
LogP3.98
Rot. Bonds6

About N-[[4-[(4-iodophenyl)methoxy]phenyl]methyl]ethanamine

N-[[4-[(4-iodophenyl)methoxy]phenyl]methyl]ethanamine (PubChem CID 65499942) has the molecular formula C16H18INO and a molecular weight of 367.23 g/mol. Its IUPAC name is N-[[4-[(4-iodophenyl)methoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[(4-iodophenyl)methoxy]phenyl]methyl]ethanamine
PubChem CID65499942
Molecular FormulaC16H18INO
Molecular Weight367.23 g/mol
Exact Mass367.04
IUPAC NameN-[[4-[(4-iodophenyl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(OCc2ccc(I)cc2)cc1
InChIInChI=1S/C16H18INO/c1-2-18-11-13-5-9-16(10-6-13)19-12-14-3-7-15(17)8-4-14/h3-10,18H,2,11-12H2,1H3
InChIKeyVGIKOYDVTYHEBU-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-[(4-iodophenyl)methoxy]phenyl]-N-methylmethanamine
CID 65499941
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17290745
N-[[3,5-dibromo-4-[(4-iodophenyl)methoxy]phenyl]methyl]ethanamine
CID 107742220
N-[[4-[(3-ethoxyphenoxy)methyl]phenyl]methyl]ethanamine
CID 62442576
1-[4-[(4-iodophenyl)methoxy]phenyl]propan-1-ol
CID 65476802
4-[(4-iodophenyl)methoxy]benzaldehyde
CID 882484
N-[[4-[(4-methylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 62450171
N-[[4-[(5-bromo-3-pyridinyl)methoxy]phenyl]methyl]ethanamine
CID 104796087
N-[[4-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine
CID 60878952
4-[[4-(ethylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63889419
N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]propan-1-amine
CID 62453982
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine;hydrochloride
CID 17290088

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-iodophenyl)methoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-[(4-iodophenyl)methoxy]phenyl]methyl]ethanamine (CID 65499942) is N-[[4-[(4-iodophenyl)methoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[(4-iodophenyl)methoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-[(4-iodophenyl)methoxy]phenyl]methyl]ethanamine is CCNCc1ccc(OCc2ccc(I)cc2)cc1.
What is the InChIKey of N-[[4-[(4-iodophenyl)methoxy]phenyl]methyl]ethanamine?
The InChIKey is VGIKOYDVTYHEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18INO/c1-2-18-11-13-5-9-16(10-6-13)19-12-14-3-7-15(17)8-4-14/h3-10,18H,2,11-12H2,1H3.
What are the key properties of N-[[4-[(4-iodophenyl)methoxy]phenyl]methyl]ethanamine?
N-[[4-[(4-iodophenyl)methoxy]phenyl]methyl]ethanamine 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-[[4-[(4-iodophenyl)methoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 65499942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).