2-[4-[(4-iodophenyl)methoxy]-3,5-dimethylphenyl]ethanamine

C17H20INO — CID 65477113

IUPAC2-[4-[(4-iodophenyl)methoxy]-3,5-dimethylphenyl]ethanamine
SMILESCc1cc(CCN)cc(C)c1OCc1ccc(I)cc1
InChIInChI=1S/C17H20INO/c1-12-9-15(7-8-19)10-13(2)17(12)20-11-14-3-5-16(18)6-4-14/h3-6,9-10H,7-8,11,19H2,1-2H3
InChIKeyBBUHHIYETSLBJR-UHFFFAOYSA-N
MW381.26 g/mol
LogP3.99
Rot. Bonds5

About 2-[4-[(4-iodophenyl)methoxy]-3,5-dimethylphenyl]ethanamine

2-[4-[(4-iodophenyl)methoxy]-3,5-dimethylphenyl]ethanamine (PubChem CID 65477113) has the molecular formula C17H20INO and a molecular weight of 381.26 g/mol. Its IUPAC name is 2-[4-[(4-iodophenyl)methoxy]-3,5-dimethylphenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[(4-iodophenyl)methoxy]-3,5-dimethylphenyl]ethanamine
PubChem CID65477113
Molecular FormulaC17H20INO
Molecular Weight381.26 g/mol
Exact Mass381.06
IUPAC Name2-[4-[(4-iodophenyl)methoxy]-3,5-dimethylphenyl]ethanamine
SMILESCc1cc(CCN)cc(C)c1OCc1ccc(I)cc1
InChIInChI=1S/C17H20INO/c1-12-9-15(7-8-19)10-13(2)17(12)20-11-14-3-5-16(18)6-4-14/h3-6,9-10H,7-8,11,19H2,1-2H3
InChIKeyBBUHHIYETSLBJR-UHFFFAOYSA-N
XLogP3.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 53.99
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

2-[4-[(4-ethylphenyl)methoxy]-3,5-dimethylphenyl]ethanamine
CID 63421326
2-[4-[(4-chloro-2,6-dimethylphenoxy)methyl]phenyl]ethanamine
CID 105350387
2-[(4-iodophenyl)methoxy]-1,3-dimethylbenzene
CID 65489726
4-[(4-iodophenyl)methoxy]-3,5-dimethylbenzonitrile
CID 65477803
4-[(4-iodophenyl)methoxy]-3,5-dimethylbenzoic acid
CID 65478013
4-[(4-iodophenyl)methoxy]-3,5-dimethylbenzenecarboximidamide
CID 65476998
2-[4-[(2,3,6-trimethylphenoxy)methyl]phenyl]ethanamine
CID 105350788
2-[4-[(4-fluoro-2-methylphenyl)methoxy]-3,5-dimethylphenyl]ethanamine
CID 114348464
2-[4-[(3,4-dimethylphenoxy)methyl]phenyl]ethanamine
CID 105350576
2-[4-(3-fluoropropoxy)-3,5-dimethylphenyl]ethanamine
CID 81113900
2-[3,5-dimethyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanamine
CID 82876258
2-[5-bromo-2-[(3,4-dimethylphenyl)methoxy]-3-methylphenyl]ethanamine
CID 115962661

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-iodophenyl)methoxy]-3,5-dimethylphenyl]ethanamine?
The IUPAC name of 2-[4-[(4-iodophenyl)methoxy]-3,5-dimethylphenyl]ethanamine (CID 65477113) is 2-[4-[(4-iodophenyl)methoxy]-3,5-dimethylphenyl]ethanamine.
What is the SMILES notation for 2-[4-[(4-iodophenyl)methoxy]-3,5-dimethylphenyl]ethanamine?
The canonical SMILES for 2-[4-[(4-iodophenyl)methoxy]-3,5-dimethylphenyl]ethanamine is Cc1cc(CCN)cc(C)c1OCc1ccc(I)cc1.
What is the InChIKey of 2-[4-[(4-iodophenyl)methoxy]-3,5-dimethylphenyl]ethanamine?
The InChIKey is BBUHHIYETSLBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20INO/c1-12-9-15(7-8-19)10-13(2)17(12)20-11-14-3-5-16(18)6-4-14/h3-6,9-10H,7-8,11,19H2,1-2H3.
What are the key properties of 2-[4-[(4-iodophenyl)methoxy]-3,5-dimethylphenyl]ethanamine?
2-[4-[(4-iodophenyl)methoxy]-3,5-dimethylphenyl]ethanamine has a molecular weight of 381.26 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-iodophenyl)methoxy]-3,5-dimethylphenyl]ethanamine is sourced from PubChem (CID 65477113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).