4-iodo-N,N,8-trimethylnaphthalen-1-amine

C13H14IN — CID 135022993

IUPAC4-iodo-N,N,8-trimethylnaphthalen-1-amine
SMILESCc1cccc2c(I)ccc(N(C)C)c12
InChIInChI=1S/C13H14IN/c1-9-5-4-6-10-11(14)7-8-12(13(9)10)15(2)3/h4-8H,1-3H3
InChIKeyFRUFGIJWMBIEMD-UHFFFAOYSA-N
MW311.17 g/mol
LogP3.82
Rot. Bonds1

About 4-iodo-N,N,8-trimethylnaphthalen-1-amine

4-iodo-N,N,8-trimethylnaphthalen-1-amine (PubChem CID 135022993) has the molecular formula C13H14IN and a molecular weight of 311.17 g/mol. Its IUPAC name is 4-iodo-N,N,8-trimethylnaphthalen-1-amine.

Molecular Properties

Compound Name4-iodo-N,N,8-trimethylnaphthalen-1-amine
PubChem CID135022993
Molecular FormulaC13H14IN
Molecular Weight311.17 g/mol
Exact Mass311.02
IUPAC Name4-iodo-N,N,8-trimethylnaphthalen-1-amine
SMILESCc1cccc2c(I)ccc(N(C)C)c12
InChIInChI=1S/C13H14IN/c1-9-5-4-6-10-11(14)7-8-12(13(9)10)15(2)3/h4-8H,1-3H3
InChIKeyFRUFGIJWMBIEMD-UHFFFAOYSA-N
XLogP3.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-N,1-N,8-N,8-N,4-pentamethylnaphthalene-1,8-diamine
CID 15890494
1,5,12-trimethyltriphenylene
CID 102264978
bis[4,5-bis(dimethylamino)naphthalen-1-yl]methanol
CID 15890498
N,N,1-trimethylnaphthalen-2-amine;hydrochloride
CID 174570104
1,5-dimethylnaphthalene
CID 162159355
4-[(E)-[(E)-[4,5-bis(dimethylamino)naphthalen-1-yl]methylidenehydrazinylidene]methyl]-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine
CID 14437588
(1R)-1-[4,5-bis(dimethylamino)naphthalen-1-yl]ethanol
CID 2327108
1-[4,5-bis(dimethylamino)naphthalen-1-yl]-2,2,2-trifluoroethanone
CID 2327126
N,N-dimethyl-4-(4-methyl-1H-benzimidazol-2-yl)naphthalen-1-amine
CID 70123038
N,N,3-trimethyl-1H-indol-4-amine
CID 71336754
1-iodo-4,5,8-trimethylnaphthalene
CID 134559851
N-(2,6-dimethylphenyl)-N-methylnaphthalen-1-amine
CID 163438414

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N,N,8-trimethylnaphthalen-1-amine?
The IUPAC name of 4-iodo-N,N,8-trimethylnaphthalen-1-amine (CID 135022993) is 4-iodo-N,N,8-trimethylnaphthalen-1-amine.
What is the SMILES notation for 4-iodo-N,N,8-trimethylnaphthalen-1-amine?
The canonical SMILES for 4-iodo-N,N,8-trimethylnaphthalen-1-amine is Cc1cccc2c(I)ccc(N(C)C)c12.
What is the InChIKey of 4-iodo-N,N,8-trimethylnaphthalen-1-amine?
The InChIKey is FRUFGIJWMBIEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14IN/c1-9-5-4-6-10-11(14)7-8-12(13(9)10)15(2)3/h4-8H,1-3H3.
What are the key properties of 4-iodo-N,N,8-trimethylnaphthalen-1-amine?
4-iodo-N,N,8-trimethylnaphthalen-1-amine has a molecular weight of 311.17 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N,N,8-trimethylnaphthalen-1-amine is sourced from PubChem (CID 135022993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).