1-[4-(2-iodophenoxy)-3-methylphenyl]butan-2-amine

C17H20INO — CID 63803492

IUPAC1-[4-(2-iodophenoxy)-3-methylphenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(Oc2ccccc2I)c(C)c1
InChIInChI=1S/C17H20INO/c1-3-14(19)11-13-8-9-16(12(2)10-13)20-17-7-5-4-6-15(17)18/h4-10,14H,3,11,19H2,1-2H3
InChIKeyFYSDTSSNMXTAEQ-UHFFFAOYSA-N
MW381.26 g/mol
LogP4.67
Rot. Bonds5

About 1-[4-(2-iodophenoxy)-3-methylphenyl]butan-2-amine

1-[4-(2-iodophenoxy)-3-methylphenyl]butan-2-amine (PubChem CID 63803492) has the molecular formula C17H20INO and a molecular weight of 381.26 g/mol. Its IUPAC name is 1-[4-(2-iodophenoxy)-3-methylphenyl]butan-2-amine.

Molecular Properties

Compound Name1-[4-(2-iodophenoxy)-3-methylphenyl]butan-2-amine
PubChem CID63803492
Molecular FormulaC17H20INO
Molecular Weight381.26 g/mol
Exact Mass381.06
IUPAC Name1-[4-(2-iodophenoxy)-3-methylphenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(Oc2ccccc2I)c(C)c1
InChIInChI=1S/C17H20INO/c1-3-14(19)11-13-8-9-16(12(2)10-13)20-17-7-5-4-6-15(17)18/h4-10,14H,3,11,19H2,1-2H3
InChIKeyFYSDTSSNMXTAEQ-UHFFFAOYSA-N
XLogP4.67
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 ≤ 54.67
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-(2-methoxyphenoxy)-3-methylphenyl]butan-2-amine
CID 63803633
1-(3-methyl-4-phenoxyphenyl)butan-2-amine
CID 63803795
1-[4-methyl-3-(2-methylphenoxy)phenyl]butan-2-amine
CID 105411019
1-[4-(2-iodophenoxy)phenyl]butan-2-amine
CID 63802314
1-[4-(2,4-difluorophenoxy)-3-methylphenyl]butan-2-amine
CID 63817149
1-[3-(2-iodophenoxy)-4-methylphenyl]propan-2-amine
CID 105411164
1-[3-chloro-4-(4-chloro-2-methylphenoxy)phenyl]butan-2-amine
CID 81160055
1-[4-(5-bromo-2-fluorophenoxy)-3-methylphenyl]butan-2-amine
CID 114677110
1-[4-methyl-3-(2-methylsulfanylphenoxy)phenyl]butan-2-amine
CID 105411210
1-[3-chloro-4-(2-ethylphenoxy)phenyl]butan-2-amine
CID 81160068
1-[4-(2-bromophenoxy)-3-chlorophenyl]butan-2-amine
CID 81165959
4-(2-aminobutyl)-N,2-dimethyl-N-(2-methylphenyl)aniline
CID 63817569

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-iodophenoxy)-3-methylphenyl]butan-2-amine?
The IUPAC name of 1-[4-(2-iodophenoxy)-3-methylphenyl]butan-2-amine (CID 63803492) is 1-[4-(2-iodophenoxy)-3-methylphenyl]butan-2-amine.
What is the SMILES notation for 1-[4-(2-iodophenoxy)-3-methylphenyl]butan-2-amine?
The canonical SMILES for 1-[4-(2-iodophenoxy)-3-methylphenyl]butan-2-amine is CCC(N)Cc1ccc(Oc2ccccc2I)c(C)c1.
What is the InChIKey of 1-[4-(2-iodophenoxy)-3-methylphenyl]butan-2-amine?
The InChIKey is FYSDTSSNMXTAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20INO/c1-3-14(19)11-13-8-9-16(12(2)10-13)20-17-7-5-4-6-15(17)18/h4-10,14H,3,11,19H2,1-2H3.
What are the key properties of 1-[4-(2-iodophenoxy)-3-methylphenyl]butan-2-amine?
1-[4-(2-iodophenoxy)-3-methylphenyl]butan-2-amine has a molecular weight of 381.26 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-iodophenoxy)-3-methylphenyl]butan-2-amine is sourced from PubChem (CID 63803492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).