N-[1-(4-iodophenyl)ethyl]-2,2-dimethyloxan-4-amine

C15H22INO — CID 83032780

IUPACN-[1-(4-iodophenyl)ethyl]-2,2-dimethyloxan-4-amine
SMILESCC(NC1CCOC(C)(C)C1)c1ccc(I)cc1
InChIInChI=1S/C15H22INO/c1-11(12-4-6-13(16)7-5-12)17-14-8-9-18-15(2,3)10-14/h4-7,11,14,17H,8-10H2,1-3H3
InChIKeyUOTSWCNVZCPRHQ-UHFFFAOYSA-N
MW359.25 g/mol
LogP3.90
Rot. Bonds3

About N-[1-(4-iodophenyl)ethyl]-2,2-dimethyloxan-4-amine

N-[1-(4-iodophenyl)ethyl]-2,2-dimethyloxan-4-amine (PubChem CID 83032780) has the molecular formula C15H22INO and a molecular weight of 359.25 g/mol. Its IUPAC name is N-[1-(4-iodophenyl)ethyl]-2,2-dimethyloxan-4-amine.

Molecular Properties

Compound NameN-[1-(4-iodophenyl)ethyl]-2,2-dimethyloxan-4-amine
PubChem CID83032780
Molecular FormulaC15H22INO
Molecular Weight359.25 g/mol
Exact Mass359.07
IUPAC NameN-[1-(4-iodophenyl)ethyl]-2,2-dimethyloxan-4-amine
SMILESCC(NC1CCOC(C)(C)C1)c1ccc(I)cc1
InChIInChI=1S/C15H22INO/c1-11(12-4-6-13(16)7-5-12)17-14-8-9-18-15(2,3)10-14/h4-7,11,14,17H,8-10H2,1-3H3
InChIKeyUOTSWCNVZCPRHQ-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.25
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[1-(4-iodophenyl)ethyl]-2,2-dimethyloxan-4-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

(4S)-2,2-dimethyl-N-[(1S)-1-phenylethyl]oxan-4-amine
CID 756075
N-[1-(3,5-difluorophenyl)ethyl]-2,2-dimethyloxan-4-amine
CID 83033287
5-[1-[(2,2-dimethyloxan-4-yl)amino]ethyl]benzene-1,3-diol
CID 107707073
N-[1-(furan-3-yl)ethyl]-2,2-dimethyloxan-4-amine
CID 83033874
2,2-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]oxan-4-amine
CID 106209442
N-[(1R)-1-(furan-2-yl)ethyl]-2,2-dimethyloxan-4-amine
CID 81403572
2,2-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]oxan-4-amine
CID 81373174
2,2-dimethyl-N-[1-(2,4,6-trimethylphenyl)ethyl]oxan-4-amine
CID 83033464
N-[(1R)-1-(2-fluorophenyl)ethyl]-2,2-dimethyloxan-4-amine
CID 81380158
N-[1-(5-bromothiophen-2-yl)ethyl]-2,2-dimethyloxan-4-amine
CID 83032784
(4R)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-2,2-dimethyloxan-4-amine
CID 40917163
N-[(1S)-1-(4-fluorophenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 81348055

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-iodophenyl)ethyl]-2,2-dimethyloxan-4-amine?
The IUPAC name of N-[1-(4-iodophenyl)ethyl]-2,2-dimethyloxan-4-amine (CID 83032780) is N-[1-(4-iodophenyl)ethyl]-2,2-dimethyloxan-4-amine.
What is the SMILES notation for N-[1-(4-iodophenyl)ethyl]-2,2-dimethyloxan-4-amine?
The canonical SMILES for N-[1-(4-iodophenyl)ethyl]-2,2-dimethyloxan-4-amine is CC(NC1CCOC(C)(C)C1)c1ccc(I)cc1.
What is the InChIKey of N-[1-(4-iodophenyl)ethyl]-2,2-dimethyloxan-4-amine?
The InChIKey is UOTSWCNVZCPRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22INO/c1-11(12-4-6-13(16)7-5-12)17-14-8-9-18-15(2,3)10-14/h4-7,11,14,17H,8-10H2,1-3H3.
What are the key properties of N-[1-(4-iodophenyl)ethyl]-2,2-dimethyloxan-4-amine?
N-[1-(4-iodophenyl)ethyl]-2,2-dimethyloxan-4-amine has a molecular weight of 359.25 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-iodophenyl)ethyl]-2,2-dimethyloxan-4-amine is sourced from PubChem (CID 83032780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).