3-iodo-N-(4-methoxy-4-methylpentan-2-yl)-4-methylaniline

C14H22INO — CID 43716067

IUPAC3-iodo-N-(4-methoxy-4-methylpentan-2-yl)-4-methylaniline
SMILESCOC(C)(C)CC(C)Nc1ccc(C)c(I)c1
InChIInChI=1S/C14H22INO/c1-10-6-7-12(8-13(10)15)16-11(2)9-14(3,4)17-5/h6-8,11,16H,9H2,1-5H3
InChIKeyINLGEDSDQUZVRS-UHFFFAOYSA-N
MW347.24 g/mol
LogP4.22
Rot. Bonds5

About 3-iodo-N-(4-methoxy-4-methylpentan-2-yl)-4-methylaniline

3-iodo-N-(4-methoxy-4-methylpentan-2-yl)-4-methylaniline (PubChem CID 43716067) has the molecular formula C14H22INO and a molecular weight of 347.24 g/mol. Its IUPAC name is 3-iodo-N-(4-methoxy-4-methylpentan-2-yl)-4-methylaniline.

Molecular Properties

Compound Name3-iodo-N-(4-methoxy-4-methylpentan-2-yl)-4-methylaniline
PubChem CID43716067
Molecular FormulaC14H22INO
Molecular Weight347.24 g/mol
Exact Mass347.07
IUPAC Name3-iodo-N-(4-methoxy-4-methylpentan-2-yl)-4-methylaniline
SMILESCOC(C)(C)CC(C)Nc1ccc(C)c(I)c1
InChIInChI=1S/C14H22INO/c1-10-6-7-12(8-13(10)15)16-11(2)9-14(3,4)17-5/h6-8,11,16H,9H2,1-5H3
InChIKeyINLGEDSDQUZVRS-UHFFFAOYSA-N
XLogP4.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.24
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-iodo-N-(4-methoxy-4-methylpentan-2-yl)-4-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-iodo-4-methyl-N-(5-methylhexan-2-yl)aniline
CID 43716218
4-[(4-methoxy-4-methylpentan-2-yl)amino]phenol
CID 43742567
N-(1-ethylsulfonylpropan-2-yl)-3-iodo-4-methylaniline
CID 115917176
3-N-(3-iodo-4-methylphenyl)butane-2,3-diamine
CID 130574019
3-iodo-N-(2-methoxypropyl)-4-methylaniline
CID 126975577
3-(methoxymethyl)-N-(4-methoxy-4-methylpentan-2-yl)aniline
CID 43672004
6-methoxy-N-(4-methoxy-4-methylpentan-2-yl)pyridin-3-amine
CID 43146958
4-bromo-N-(4-methoxy-4-methylpentan-2-yl)-3-nitroaniline
CID 79767299
N-(4-methoxy-4-methylpentan-2-yl)-4-(2-methyl-1,3-thiazol-4-yl)aniline
CID 43147203
N-[2-chloro-4-[(4-methoxy-4-methylpentan-2-yl)amino]phenyl]acetamide
CID 43690114
N-[3-[(4-methoxy-4-methylpentan-2-yl)amino]phenyl]methanesulfonamide
CID 43147236
N-(4-methoxy-4-methylpentan-2-yl)-4-propoxyaniline
CID 62329167

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-(4-methoxy-4-methylpentan-2-yl)-4-methylaniline?
The IUPAC name of 3-iodo-N-(4-methoxy-4-methylpentan-2-yl)-4-methylaniline (CID 43716067) is 3-iodo-N-(4-methoxy-4-methylpentan-2-yl)-4-methylaniline.
What is the SMILES notation for 3-iodo-N-(4-methoxy-4-methylpentan-2-yl)-4-methylaniline?
The canonical SMILES for 3-iodo-N-(4-methoxy-4-methylpentan-2-yl)-4-methylaniline is COC(C)(C)CC(C)Nc1ccc(C)c(I)c1.
What is the InChIKey of 3-iodo-N-(4-methoxy-4-methylpentan-2-yl)-4-methylaniline?
The InChIKey is INLGEDSDQUZVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22INO/c1-10-6-7-12(8-13(10)15)16-11(2)9-14(3,4)17-5/h6-8,11,16H,9H2,1-5H3.
What are the key properties of 3-iodo-N-(4-methoxy-4-methylpentan-2-yl)-4-methylaniline?
3-iodo-N-(4-methoxy-4-methylpentan-2-yl)-4-methylaniline has a molecular weight of 347.24 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-(4-methoxy-4-methylpentan-2-yl)-4-methylaniline is sourced from PubChem (CID 43716067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).