1-(2-adamantyl)-2-(4-iodophenyl)ethanamine

C18H24IN — CID 115864147

IUPAC1-(2-adamantyl)-2-(4-iodophenyl)ethanamine
SMILESNC(Cc1ccc(I)cc1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H24IN/c19-16-3-1-11(2-4-16)10-17(20)18-14-6-12-5-13(8-14)9-15(18)7-12/h1-4,12-15,17-18H,5-10,20H2
InChIKeyFGKLHXMPDOPTHC-UHFFFAOYSA-N
MW381.30 g/mol
LogP4.23
Rot. Bonds3

About 1-(2-adamantyl)-2-(4-iodophenyl)ethanamine

1-(2-adamantyl)-2-(4-iodophenyl)ethanamine (PubChem CID 115864147) has the molecular formula C18H24IN and a molecular weight of 381.30 g/mol. Its IUPAC name is 1-(2-adamantyl)-2-(4-iodophenyl)ethanamine.

Molecular Properties

Compound Name1-(2-adamantyl)-2-(4-iodophenyl)ethanamine
PubChem CID115864147
Molecular FormulaC18H24IN
Molecular Weight381.30 g/mol
Exact Mass381.10
IUPAC Name1-(2-adamantyl)-2-(4-iodophenyl)ethanamine
SMILESNC(Cc1ccc(I)cc1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H24IN/c19-16-3-1-11(2-4-16)10-17(20)18-14-6-12-5-13(8-14)9-15(18)7-12/h1-4,12-15,17-18H,5-10,20H2
InChIKeyFGKLHXMPDOPTHC-UHFFFAOYSA-N
XLogP4.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.30
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-adamantyl)-2-(3,4-dimethylphenyl)ethanamine
CID 81099428
1-(2-adamantyl)-2-(2,6-difluorophenyl)ethanamine
CID 81099599
2-(4-iodophenyl)-1-(3-methylcyclopentyl)ethanamine
CID 65476305
2-(4-iodophenyl)-1-(3-methylcyclohexyl)ethanamine
CID 65477706
2-(4-iodophenyl)-1-(thiolan-3-yl)ethanamine
CID 105151993
1-(2-adamantyl)-2-(4-iodophenyl)ethanone
CID 114974203
[1-(2-adamantyl)-2-(4-chlorophenyl)ethyl]hydrazine
CID 105283365
1-(1,4-dithian-2-yl)-2-(4-iodophenyl)ethanamine
CID 79971387
2-amino-3-(4-iodophenyl)propanenitrile
CID 67269267
1,2-bis(4-iodophenyl)ethanamine
CID 115863933
2-adamantyl(phenyl)methanamine
CID 81096130
4-[2-amino-2-[(2S)-2-bicyclo[2.2.1]heptanyl]ethyl]aniline
CID 68510516

Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)-2-(4-iodophenyl)ethanamine?
The IUPAC name of 1-(2-adamantyl)-2-(4-iodophenyl)ethanamine (CID 115864147) is 1-(2-adamantyl)-2-(4-iodophenyl)ethanamine.
What is the SMILES notation for 1-(2-adamantyl)-2-(4-iodophenyl)ethanamine?
The canonical SMILES for 1-(2-adamantyl)-2-(4-iodophenyl)ethanamine is NC(Cc1ccc(I)cc1)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 1-(2-adamantyl)-2-(4-iodophenyl)ethanamine?
The InChIKey is FGKLHXMPDOPTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24IN/c19-16-3-1-11(2-4-16)10-17(20)18-14-6-12-5-13(8-14)9-15(18)7-12/h1-4,12-15,17-18H,5-10,20H2.
What are the key properties of 1-(2-adamantyl)-2-(4-iodophenyl)ethanamine?
1-(2-adamantyl)-2-(4-iodophenyl)ethanamine has a molecular weight of 381.30 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)-2-(4-iodophenyl)ethanamine is sourced from PubChem (CID 115864147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).