4-iodo-N-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)aniline

C18H22INO — CID 154621156

IUPAC4-iodo-N-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)aniline
SMILESCOc1ccc(CN(CC(C)C)c2ccc(I)cc2)cc1
InChIInChI=1S/C18H22INO/c1-14(2)12-20(17-8-6-16(19)7-9-17)13-15-4-10-18(21-3)11-5-15/h4-11,14H,12-13H2,1-3H3
InChIKeyFKQUACVATQODRD-UHFFFAOYSA-N
MW395.28 g/mol
LogP4.96
Rot. Bonds6

About 4-iodo-N-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)aniline

4-iodo-N-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)aniline (PubChem CID 154621156) has the molecular formula C18H22INO and a molecular weight of 395.28 g/mol. Its IUPAC name is 4-iodo-N-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)aniline.

Molecular Properties

Compound Name4-iodo-N-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)aniline
PubChem CID154621156
Molecular FormulaC18H22INO
Molecular Weight395.28 g/mol
Exact Mass395.07
IUPAC Name4-iodo-N-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)aniline
SMILESCOc1ccc(CN(CC(C)C)c2ccc(I)cc2)cc1
InChIInChI=1S/C18H22INO/c1-14(2)12-20(17-8-6-16(19)7-9-17)13-15-4-10-18(21-3)11-5-15/h4-11,14H,12-13H2,1-3H3
InChIKeyFKQUACVATQODRD-UHFFFAOYSA-N
XLogP4.96
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.28
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-(2-methylpropyl)-N-[(4-methylsulfanylphenyl)methyl]aniline
CID 154621249
4-methoxy-N-(2-methylpropyl)-N-[(4-phenylphenyl)methyl]aniline
CID 154621372
1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine
CID 21254489
N-butan-2-yl-4-iodo-N-[(4-methoxyphenyl)methyl]aniline
CID 154621202
N-hexyl-4-iodo-N-[(4-methoxyphenyl)methyl]aniline
CID 138518673
4-iodo-N-[(4-methoxyphenyl)methyl]-N-nonylaniline
CID 154621185
4-ethoxy-N,N-bis(2-methylpropyl)aniline;4-methoxy-N,N-bis(2-methylpropyl)aniline
CID 161278996
N-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]aniline
CID 138518716
4-methoxy-N,N-bis(methoxymethyl)aniline
CID 89468483
4-[[4-methoxy-N-[(4-methoxyphenyl)methyl]anilino]methyl]benzamide
CID 12031517
N-ethyl-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 138519666
2-[N-[(4-chlorophenyl)methyl]-4-methoxyanilino]ethanol
CID 138519660

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)aniline?
The IUPAC name of 4-iodo-N-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)aniline (CID 154621156) is 4-iodo-N-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)aniline.
What is the SMILES notation for 4-iodo-N-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)aniline?
The canonical SMILES for 4-iodo-N-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)aniline is COc1ccc(CN(CC(C)C)c2ccc(I)cc2)cc1.
What is the InChIKey of 4-iodo-N-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)aniline?
The InChIKey is FKQUACVATQODRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22INO/c1-14(2)12-20(17-8-6-16(19)7-9-17)13-15-4-10-18(21-3)11-5-15/h4-11,14H,12-13H2,1-3H3.
What are the key properties of 4-iodo-N-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)aniline?
4-iodo-N-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)aniline has a molecular weight of 395.28 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)aniline is sourced from PubChem (CID 154621156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).