N-(4-chloro-2-iodophenyl)-2,2,5,5-tetramethyloxolan-3-amine

C14H19ClINO — CID 107632414

IUPACN-(4-chloro-2-iodophenyl)-2,2,5,5-tetramethyloxolan-3-amine
SMILESCC1(C)CC(Nc2ccc(Cl)cc2I)C(C)(C)O1
InChIInChI=1S/C14H19ClINO/c1-13(2)8-12(14(3,4)18-13)17-11-6-5-9(15)7-10(11)16/h5-7,12,17H,8H2,1-4H3
InChIKeyARRLLDPENYYBPI-UHFFFAOYSA-N
MW379.67 g/mol
LogP4.70
Rot. Bonds2

About N-(4-chloro-2-iodophenyl)-2,2,5,5-tetramethyloxolan-3-amine

N-(4-chloro-2-iodophenyl)-2,2,5,5-tetramethyloxolan-3-amine (PubChem CID 107632414) has the molecular formula C14H19ClINO and a molecular weight of 379.67 g/mol. Its IUPAC name is N-(4-chloro-2-iodophenyl)-2,2,5,5-tetramethyloxolan-3-amine.

Molecular Properties

Compound NameN-(4-chloro-2-iodophenyl)-2,2,5,5-tetramethyloxolan-3-amine
PubChem CID107632414
Molecular FormulaC14H19ClINO
Molecular Weight379.67 g/mol
Exact Mass379.02
IUPAC NameN-(4-chloro-2-iodophenyl)-2,2,5,5-tetramethyloxolan-3-amine
SMILESCC1(C)CC(Nc2ccc(Cl)cc2I)C(C)(C)O1
InChIInChI=1S/C14H19ClINO/c1-13(2)8-12(14(3,4)18-13)17-11-6-5-9(15)7-10(11)16/h5-7,12,17H,8H2,1-4H3
InChIKeyARRLLDPENYYBPI-UHFFFAOYSA-N
XLogP4.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.67
LogP ≤ 54.70
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

methyl 5-chloro-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzoate
CID 79907432
N-(4-bromo-2,3-dichlorophenyl)-2,2,5,5-tetramethyloxolan-3-amine
CID 107787644
N-(3-chloro-2-methylphenyl)-2,2,5,5-tetramethyloxolan-3-amine
CID 79915895
4-chloro-N-cyclopropyl-2-iodoaniline
CID 107632159
6-chloro-N-(2,2,5,5-tetramethyloxolan-3-yl)-2,3-dihydro-1,4-benzodioxin-7-amine
CID 79907143
N-(2-methoxy-4-methylphenyl)-2,2,5,5-tetramethyloxolan-3-amine
CID 79928376
methyl 5-methyl-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzoate
CID 79907438
N-(2-bromophenyl)-2,2,5,5-tetramethyloxolan-3-amine
CID 79915649
6-chloro-N-(4-chloro-2-iodophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 107631566
N-(4-chloro-2-methoxy-5-methylphenyl)-2,2,5,5-tetramethyloxolan-3-amine
CID 79918442
6-chloro-2-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrimidin-4-amine
CID 133439572
4-chloro-N-cyclohexyl-2-iodoaniline
CID 107631445

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-iodophenyl)-2,2,5,5-tetramethyloxolan-3-amine?
The IUPAC name of N-(4-chloro-2-iodophenyl)-2,2,5,5-tetramethyloxolan-3-amine (CID 107632414) is N-(4-chloro-2-iodophenyl)-2,2,5,5-tetramethyloxolan-3-amine.
What is the SMILES notation for N-(4-chloro-2-iodophenyl)-2,2,5,5-tetramethyloxolan-3-amine?
The canonical SMILES for N-(4-chloro-2-iodophenyl)-2,2,5,5-tetramethyloxolan-3-amine is CC1(C)CC(Nc2ccc(Cl)cc2I)C(C)(C)O1.
What is the InChIKey of N-(4-chloro-2-iodophenyl)-2,2,5,5-tetramethyloxolan-3-amine?
The InChIKey is ARRLLDPENYYBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClINO/c1-13(2)8-12(14(3,4)18-13)17-11-6-5-9(15)7-10(11)16/h5-7,12,17H,8H2,1-4H3.
What are the key properties of N-(4-chloro-2-iodophenyl)-2,2,5,5-tetramethyloxolan-3-amine?
N-(4-chloro-2-iodophenyl)-2,2,5,5-tetramethyloxolan-3-amine has a molecular weight of 379.67 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-iodophenyl)-2,2,5,5-tetramethyloxolan-3-amine is sourced from PubChem (CID 107632414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).