N-ethyl-3-(3-iodophenoxy)-2-methylpropan-1-amine

C12H18INO — CID 62486582

IUPACN-ethyl-3-(3-iodophenoxy)-2-methylpropan-1-amine
SMILESCCNCC(C)COc1cccc(I)c1
InChIInChI=1S/C12H18INO/c1-3-14-8-10(2)9-15-12-6-4-5-11(13)7-12/h4-7,10,14H,3,8-9H2,1-2H3
InChIKeyKDHKHLJACIHREC-UHFFFAOYSA-N
MW319.19 g/mol
LogP2.92
Rot. Bonds6

About N-ethyl-3-(3-iodophenoxy)-2-methylpropan-1-amine

N-ethyl-3-(3-iodophenoxy)-2-methylpropan-1-amine (PubChem CID 62486582) has the molecular formula C12H18INO and a molecular weight of 319.19 g/mol. Its IUPAC name is N-ethyl-3-(3-iodophenoxy)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(3-iodophenoxy)-2-methylpropan-1-amine
PubChem CID62486582
Molecular FormulaC12H18INO
Molecular Weight319.19 g/mol
Exact Mass319.04
IUPAC NameN-ethyl-3-(3-iodophenoxy)-2-methylpropan-1-amine
SMILESCCNCC(C)COc1cccc(I)c1
InChIInChI=1S/C12H18INO/c1-3-14-8-10(2)9-15-12-6-4-5-11(13)7-12/h4-7,10,14H,3,8-9H2,1-2H3
InChIKeyKDHKHLJACIHREC-UHFFFAOYSA-N
XLogP2.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 52.92
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

3-(3-iodophenoxy)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62486584
3-(3,4-difluorophenoxy)-N-ethyl-2-methylpropan-1-amine
CID 62486090
3-(6-bromonaphthalen-2-yl)oxy-N-ethyl-2-methylpropan-1-amine
CID 62459947
1-(3-iodophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 14099143
N-ethyl-2-methyl-3-(4-propylphenoxy)propan-1-amine
CID 62549610
3-(2,6-dimethoxyphenoxy)-N-ethyl-2-methylpropan-1-amine
CID 62450721
1-(3-ethoxyphenoxy)-3-(ethylamino)propan-2-ol
CID 62338062
N-ethyl-2-(3-iodophenoxy)acetamide
CID 35964603
3-(3-iodophenoxy)-2-methylpropanamide
CID 61400057
N-ethyl-2-methyl-3-naphthalen-1-yloxypropan-1-amine
CID 62460664
2-[4-[3-(ethylamino)-2-methylpropoxy]phenyl]ethanol
CID 107709363
3-(2-chlorophenoxy)-N-ethyl-2-methylpropan-1-amine
CID 62454588

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(3-iodophenoxy)-2-methylpropan-1-amine?
The IUPAC name of N-ethyl-3-(3-iodophenoxy)-2-methylpropan-1-amine (CID 62486582) is N-ethyl-3-(3-iodophenoxy)-2-methylpropan-1-amine.
What is the SMILES notation for N-ethyl-3-(3-iodophenoxy)-2-methylpropan-1-amine?
The canonical SMILES for N-ethyl-3-(3-iodophenoxy)-2-methylpropan-1-amine is CCNCC(C)COc1cccc(I)c1.
What is the InChIKey of N-ethyl-3-(3-iodophenoxy)-2-methylpropan-1-amine?
The InChIKey is KDHKHLJACIHREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18INO/c1-3-14-8-10(2)9-15-12-6-4-5-11(13)7-12/h4-7,10,14H,3,8-9H2,1-2H3.
What are the key properties of N-ethyl-3-(3-iodophenoxy)-2-methylpropan-1-amine?
N-ethyl-3-(3-iodophenoxy)-2-methylpropan-1-amine has a molecular weight of 319.19 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(3-iodophenoxy)-2-methylpropan-1-amine is sourced from PubChem (CID 62486582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).