5-[1-(4-iodophenyl)ethylamino]naphthalen-1-ol

C18H16INO — CID 43790452

IUPAC5-[1-(4-iodophenyl)ethylamino]naphthalen-1-ol
SMILESCC(Nc1cccc2c(O)cccc12)c1ccc(I)cc1
InChIInChI=1S/C18H16INO/c1-12(13-8-10-14(19)11-9-13)20-17-6-2-5-16-15(17)4-3-7-18(16)21/h2-12,20-21H,1H3
InChIKeyKRUIFCRKEHGSJX-UHFFFAOYSA-N
MW389.24 g/mol
LogP5.32
Rot. Bonds3

About 5-[1-(4-iodophenyl)ethylamino]naphthalen-1-ol

5-[1-(4-iodophenyl)ethylamino]naphthalen-1-ol (PubChem CID 43790452) has the molecular formula C18H16INO and a molecular weight of 389.24 g/mol. Its IUPAC name is 5-[1-(4-iodophenyl)ethylamino]naphthalen-1-ol.

Molecular Properties

Compound Name5-[1-(4-iodophenyl)ethylamino]naphthalen-1-ol
PubChem CID43790452
Molecular FormulaC18H16INO
Molecular Weight389.24 g/mol
Exact Mass389.03
IUPAC Name5-[1-(4-iodophenyl)ethylamino]naphthalen-1-ol
SMILESCC(Nc1cccc2c(O)cccc12)c1ccc(I)cc1
InChIInChI=1S/C18H16INO/c1-12(13-8-10-14(19)11-9-13)20-17-6-2-5-16-15(17)4-3-7-18(16)21/h2-12,20-21H,1H3
InChIKeyKRUIFCRKEHGSJX-UHFFFAOYSA-N
XLogP5.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.24
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[1-(4-iodophenyl)ethyl]-2-methylaniline
CID 43758590
2-tert-butyl-N-[1-(4-iodophenyl)ethyl]aniline
CID 43780792
N-[1-(4-iodophenyl)ethyl]-2-methoxyaniline
CID 43757793
N-[1-(4-iodophenyl)ethyl]-2-(trifluoromethyl)aniline
CID 43758444
5-(1-pyridin-2-ylethylamino)naphthalen-1-ol
CID 43742985
methyl 3-[1-(4-iodophenyl)ethylamino]-2-methylbenzoate
CID 43784580
2-[2-[1-(4-iodophenyl)ethylamino]phenyl]-N-methylacetamide
CID 43782874
2-chloro-4-iodo-N-[1-(4-iodophenyl)ethyl]aniline
CID 43788776
N-[1-(4-fluorophenyl)ethyl]-4-iodoaniline
CID 43088233
N-[3-[1-(4-iodophenyl)ethylamino]phenyl]acetamide
CID 43761396
2,4-dibromo-N-[1-(4-iodophenyl)ethyl]aniline
CID 43780861
N-[1-(4-iodophenyl)ethyl]-2-pyrrolidin-1-ylpyridin-3-amine
CID 43779579

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-iodophenyl)ethylamino]naphthalen-1-ol?
The IUPAC name of 5-[1-(4-iodophenyl)ethylamino]naphthalen-1-ol (CID 43790452) is 5-[1-(4-iodophenyl)ethylamino]naphthalen-1-ol.
What is the SMILES notation for 5-[1-(4-iodophenyl)ethylamino]naphthalen-1-ol?
The canonical SMILES for 5-[1-(4-iodophenyl)ethylamino]naphthalen-1-ol is CC(Nc1cccc2c(O)cccc12)c1ccc(I)cc1.
What is the InChIKey of 5-[1-(4-iodophenyl)ethylamino]naphthalen-1-ol?
The InChIKey is KRUIFCRKEHGSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16INO/c1-12(13-8-10-14(19)11-9-13)20-17-6-2-5-16-15(17)4-3-7-18(16)21/h2-12,20-21H,1H3.
What are the key properties of 5-[1-(4-iodophenyl)ethylamino]naphthalen-1-ol?
5-[1-(4-iodophenyl)ethylamino]naphthalen-1-ol has a molecular weight of 389.24 g/mol, XLogP of 5.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-iodophenyl)ethylamino]naphthalen-1-ol is sourced from PubChem (CID 43790452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).