N-[[4-(4-iodophenoxy)-2-methylphenyl]methyl]-2-methylpropan-1-amine

C18H22INO — CID 63550899

IUPACN-[[4-(4-iodophenoxy)-2-methylphenyl]methyl]-2-methylpropan-1-amine
SMILESCc1cc(Oc2ccc(I)cc2)ccc1CNCC(C)C
InChIInChI=1S/C18H22INO/c1-13(2)11-20-12-15-4-7-18(10-14(15)3)21-17-8-5-16(19)6-9-17/h4-10,13,20H,11-12H2,1-3H3
InChIKeyWENZASYMJCAXRJ-UHFFFAOYSA-N
MW395.28 g/mol
LogP5.14
Rot. Bonds6

About N-[[4-(4-iodophenoxy)-2-methylphenyl]methyl]-2-methylpropan-1-amine

N-[[4-(4-iodophenoxy)-2-methylphenyl]methyl]-2-methylpropan-1-amine (PubChem CID 63550899) has the molecular formula C18H22INO and a molecular weight of 395.28 g/mol. Its IUPAC name is N-[[4-(4-iodophenoxy)-2-methylphenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-(4-iodophenoxy)-2-methylphenyl]methyl]-2-methylpropan-1-amine
PubChem CID63550899
Molecular FormulaC18H22INO
Molecular Weight395.28 g/mol
Exact Mass395.07
IUPAC NameN-[[4-(4-iodophenoxy)-2-methylphenyl]methyl]-2-methylpropan-1-amine
SMILESCc1cc(Oc2ccc(I)cc2)ccc1CNCC(C)C
InChIInChI=1S/C18H22INO/c1-13(2)11-20-12-15-4-7-18(10-14(15)3)21-17-8-5-16(19)6-9-17/h4-10,13,20H,11-12H2,1-3H3
InChIKeyWENZASYMJCAXRJ-UHFFFAOYSA-N
XLogP5.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.28
LogP ≤ 55.14
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-methyl-N-[(2-methyl-4-phenoxyphenyl)methyl]propan-1-amine
CID 63552372
N-[[4-(4-bromophenoxy)-2-methylphenyl]methyl]-2-methylpropan-1-amine
CID 63552547
2-methyl-N-[(2-methyl-4-pyridin-3-yloxyphenyl)methyl]propan-1-amine
CID 63072149
N-[[4-(1-ethylpyrazol-4-yl)oxy-2-methylphenyl]methyl]-2-methylpropan-1-amine
CID 116802120
N-[[4-(4-chloro-3-methylphenoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63552535
N-[[4-(4-bromophenoxy)-2-methylphenyl]methyl]ethanamine
CID 55221726
N-[[4-(4-fluorophenoxy)-2-methylphenyl]methyl]ethanamine
CID 62130842
N-[[4-(4-chlorophenoxy)-2-methylphenyl]methyl]ethanamine
CID 55221727
N-[[3-fluoro-4-(4-iodophenoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63553316
N-[[5-(4-iodophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 63070596
N-[[4-bromo-2-(4-bromophenoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63552178
N-[[4-(4-chlorophenoxy)-2-methylphenyl]methyl]propan-1-amine
CID 63552365

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-iodophenoxy)-2-methylphenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-(4-iodophenoxy)-2-methylphenyl]methyl]-2-methylpropan-1-amine (CID 63550899) is N-[[4-(4-iodophenoxy)-2-methylphenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-(4-iodophenoxy)-2-methylphenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-(4-iodophenoxy)-2-methylphenyl]methyl]-2-methylpropan-1-amine is Cc1cc(Oc2ccc(I)cc2)ccc1CNCC(C)C.
What is the InChIKey of N-[[4-(4-iodophenoxy)-2-methylphenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is WENZASYMJCAXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22INO/c1-13(2)11-20-12-15-4-7-18(10-14(15)3)21-17-8-5-16(19)6-9-17/h4-10,13,20H,11-12H2,1-3H3.
What are the key properties of N-[[4-(4-iodophenoxy)-2-methylphenyl]methyl]-2-methylpropan-1-amine?
N-[[4-(4-iodophenoxy)-2-methylphenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 395.28 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-iodophenoxy)-2-methylphenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63550899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).