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

C17H19ClINO — CID 114856355

IUPACN-[[4-chloro-2-(2-iodophenoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(Cl)cc1Oc1ccccc1I
InChIInChI=1S/C17H19ClINO/c1-17(2,3)20-11-12-8-9-13(18)10-16(12)21-15-7-5-4-6-14(15)19/h4-10,20H,11H2,1-3H3
InChIKeyLPKSFWDWOJNYEG-UHFFFAOYSA-N
MW415.70 g/mol
LogP5.62
Rot. Bonds4

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

N-[[4-chloro-2-(2-iodophenoxy)phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 114856355) has the molecular formula C17H19ClINO and a molecular weight of 415.70 g/mol. Its IUPAC name is N-[[4-chloro-2-(2-iodophenoxy)phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-chloro-2-(2-iodophenoxy)phenyl]methyl]-2-methylpropan-2-amine
PubChem CID114856355
Molecular FormulaC17H19ClINO
Molecular Weight415.70 g/mol
Exact Mass415.02
IUPAC NameN-[[4-chloro-2-(2-iodophenoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(Cl)cc1Oc1ccccc1I
InChIInChI=1S/C17H19ClINO/c1-17(2,3)20-11-12-8-9-13(18)10-16(12)21-15-7-5-4-6-14(15)19/h4-10,20H,11H2,1-3H3
InChIKeyLPKSFWDWOJNYEG-UHFFFAOYSA-N
XLogP5.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.70
LogP ≤ 55.62
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

N-[(4-chloro-2-phenoxyphenyl)methyl]-2-methylpropan-2-amine
CID 114855696
N-[[4-chloro-2-(4-chlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 114855553
N-[[2-(4-chloro-2-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63553311
N-[[4-chloro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]-2-methylpropan-2-amine
CID 114856965
N-[[5-chloro-2-(2-iodophenoxy)phenyl]methyl]propan-1-amine
CID 114856352
4-chloro-2-(2-iodophenoxy)aniline
CID 115469275
N-[[5-chloro-2-(2-iodophenoxy)phenyl]methyl]cyclopropanamine
CID 114856357
2-methyl-N-[[2-(2-methylphenoxy)phenyl]methyl]propan-2-amine
CID 63550509
N-[[4-(2,5-dichlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 81254211
N-[(2-bromo-4-chlorophenyl)methyl]-2-methylpropan-2-amine
CID 75361237
N-[(5-chloro-2-fluorophenyl)methyl]-2-methylpropan-2-amine
CID 60984555
N-[[5-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63056881

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-2-(2-iodophenoxy)phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-chloro-2-(2-iodophenoxy)phenyl]methyl]-2-methylpropan-2-amine (CID 114856355) is N-[[4-chloro-2-(2-iodophenoxy)phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-chloro-2-(2-iodophenoxy)phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-chloro-2-(2-iodophenoxy)phenyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1ccc(Cl)cc1Oc1ccccc1I.
What is the InChIKey of N-[[4-chloro-2-(2-iodophenoxy)phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is LPKSFWDWOJNYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClINO/c1-17(2,3)20-11-12-8-9-13(18)10-16(12)21-15-7-5-4-6-14(15)19/h4-10,20H,11H2,1-3H3.
What are the key properties of N-[[4-chloro-2-(2-iodophenoxy)phenyl]methyl]-2-methylpropan-2-amine?
N-[[4-chloro-2-(2-iodophenoxy)phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 415.70 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-2-(2-iodophenoxy)phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 114856355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).