N-[[4-(3-iodophenoxy)phenyl]methyl]-2-methylpropan-2-amine

C17H20INO — CID 63553320

IUPACN-[[4-(3-iodophenoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(Oc2cccc(I)c2)cc1
InChIInChI=1S/C17H20INO/c1-17(2,3)19-12-13-7-9-15(10-8-13)20-16-6-4-5-14(18)11-16/h4-11,19H,12H2,1-3H3
InChIKeyNRMFFKDYUZPHNC-UHFFFAOYSA-N
MW381.26 g/mol
LogP4.97
Rot. Bonds4

About N-[[4-(3-iodophenoxy)phenyl]methyl]-2-methylpropan-2-amine

N-[[4-(3-iodophenoxy)phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 63553320) has the molecular formula C17H20INO and a molecular weight of 381.26 g/mol. Its IUPAC name is N-[[4-(3-iodophenoxy)phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-(3-iodophenoxy)phenyl]methyl]-2-methylpropan-2-amine
PubChem CID63553320
Molecular FormulaC17H20INO
Molecular Weight381.26 g/mol
Exact Mass381.06
IUPAC NameN-[[4-(3-iodophenoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(Oc2cccc(I)c2)cc1
InChIInChI=1S/C17H20INO/c1-17(2,3)19-12-13-7-9-15(10-8-13)20-16-6-4-5-14(18)11-16/h4-11,19H,12H2,1-3H3
InChIKeyNRMFFKDYUZPHNC-UHFFFAOYSA-N
XLogP4.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[4-(3-iodophenoxy)phenyl]methyl]-2-methylpropan-2-amine 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

1-iodo-3-[3-[4-(3-iodophenoxy)phenoxy]phenoxy]benzene
CID 22494556
2-methyl-N-[(4-pyridin-3-yloxyphenyl)methyl]propan-2-amine
CID 63069645
N-[[4-(3,5-dichlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63550550
N-[[5-fluoro-2-(3-iodophenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63552758
N-[[4-(4-bromo-3-fluorophenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 65201323
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 22251747
N-[[4-(2,3-dimethylphenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63551807
N-[[4-[(3-iodophenoxy)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 63498603
2-methyl-N-[(4-pyridin-2-yloxyphenyl)methyl]propan-2-amine
CID 71120055
tert-butyl N-[[3-(3-iodophenoxy)phenyl]methyl]carbamate
CID 58104450
1-(chloromethyl)-3-(3-iodophenoxy)benzene
CID 112594493
N-[[4-(2-fluoro-5-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 64854465

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-iodophenoxy)phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-(3-iodophenoxy)phenyl]methyl]-2-methylpropan-2-amine (CID 63553320) is N-[[4-(3-iodophenoxy)phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-(3-iodophenoxy)phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-(3-iodophenoxy)phenyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1ccc(Oc2cccc(I)c2)cc1.
What is the InChIKey of N-[[4-(3-iodophenoxy)phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is NRMFFKDYUZPHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20INO/c1-17(2,3)19-12-13-7-9-15(10-8-13)20-16-6-4-5-14(18)11-16/h4-11,19H,12H2,1-3H3.
What are the key properties of N-[[4-(3-iodophenoxy)phenyl]methyl]-2-methylpropan-2-amine?
N-[[4-(3-iodophenoxy)phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 381.26 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-iodophenoxy)phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63553320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).