N-[1-(4-iodophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine

C13H20INO — CID 115728734

IUPACN-[1-(4-iodophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine
SMILESCOC(C)(C)CNC(C)c1ccc(I)cc1
InChIInChI=1S/C13H20INO/c1-10(15-9-13(2,3)16-4)11-5-7-12(14)8-6-11/h5-8,10,15H,9H2,1-4H3
InChIKeyZSTPNXLEFSTKEQ-UHFFFAOYSA-N
MW333.21 g/mol
LogP3.37
Rot. Bonds5

About N-[1-(4-iodophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine

N-[1-(4-iodophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine (PubChem CID 115728734) has the molecular formula C13H20INO and a molecular weight of 333.21 g/mol. Its IUPAC name is N-[1-(4-iodophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(4-iodophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine
PubChem CID115728734
Molecular FormulaC13H20INO
Molecular Weight333.21 g/mol
Exact Mass333.06
IUPAC NameN-[1-(4-iodophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine
SMILESCOC(C)(C)CNC(C)c1ccc(I)cc1
InChIInChI=1S/C13H20INO/c1-10(15-9-13(2,3)16-4)11-5-7-12(14)8-6-11/h5-8,10,15H,9H2,1-4H3
InChIKeyZSTPNXLEFSTKEQ-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.21
LogP ≤ 53.37
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-[1-(4-bromophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine
CID 115664039
2,2,2-trifluoro-N-[1-(4-iodophenyl)ethyl]ethanamine
CID 43755062
N-[1-(4-iodophenyl)ethyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115726027
N-[1-(4-iodophenyl)ethyl]-2-methyl-2-phenylpropan-1-amine
CID 63451569
2-methoxy-N-[1-(6-methoxynaphthalen-2-yl)ethyl]-2-methylpropan-1-amine
CID 115664040
(1R)-1-(4-iodophenyl)-N-(2-methoxyethyl)ethanamine
CID 93281051
2-methoxy-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]-2-methylpropan-1-amine
CID 115728707
N-(cyclohexylmethyl)-1-(4-iodophenyl)ethanamine
CID 43775619
methyl 2-[1-(4-iodophenyl)ethylamino]-2-methylpropanoate
CID 43787152
N-[1-(2-bromophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine
CID 115664067
N-[3-[1-[(2-methoxy-2-methylpropyl)amino]ethyl]phenyl]acetamide
CID 115728578
N-(2-cyclohexylethyl)-1-(4-iodophenyl)ethanamine
CID 63448536

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-iodophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine?
The IUPAC name of N-[1-(4-iodophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine (CID 115728734) is N-[1-(4-iodophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine.
What is the SMILES notation for N-[1-(4-iodophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine?
The canonical SMILES for N-[1-(4-iodophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine is COC(C)(C)CNC(C)c1ccc(I)cc1.
What is the InChIKey of N-[1-(4-iodophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine?
The InChIKey is ZSTPNXLEFSTKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20INO/c1-10(15-9-13(2,3)16-4)11-5-7-12(14)8-6-11/h5-8,10,15H,9H2,1-4H3.
What are the key properties of N-[1-(4-iodophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine?
N-[1-(4-iodophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine has a molecular weight of 333.21 g/mol, XLogP of 3.37, 5 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-methoxy-2-methylpropan-1-amine is sourced from PubChem (CID 115728734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).