2-(8-iodonaphthalen-1-yl)-N-methylaniline

C17H14IN — CID 154707911

IUPAC2-(8-iodonaphthalen-1-yl)-N-methylaniline
SMILESCNc1ccccc1-c1cccc2cccc(I)c12
InChIInChI=1S/C17H14IN/c1-19-16-11-3-2-8-13(16)14-9-4-6-12-7-5-10-15(18)17(12)14/h2-11,19H,1H3
InChIKeyLBSQUGLMZZKIEM-UHFFFAOYSA-N
MW359.21 g/mol
LogP5.15
Rot. Bonds2

About 2-(8-iodonaphthalen-1-yl)-N-methylaniline

2-(8-iodonaphthalen-1-yl)-N-methylaniline (PubChem CID 154707911) has the molecular formula C17H14IN and a molecular weight of 359.21 g/mol. Its IUPAC name is 2-(8-iodonaphthalen-1-yl)-N-methylaniline.

Molecular Properties

Compound Name2-(8-iodonaphthalen-1-yl)-N-methylaniline
PubChem CID154707911
Molecular FormulaC17H14IN
Molecular Weight359.21 g/mol
Exact Mass359.02
IUPAC Name2-(8-iodonaphthalen-1-yl)-N-methylaniline
SMILESCNc1ccccc1-c1cccc2cccc(I)c12
InChIInChI=1S/C17H14IN/c1-19-16-11-3-2-8-13(16)14-9-4-6-12-7-5-10-15(18)17(12)14/h2-11,19H,1H3
InChIKeyLBSQUGLMZZKIEM-UHFFFAOYSA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.21
LogP ≤ 55.15
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

N-methyl-2-[4-[2-(methylamino)phenyl]phenyl]aniline
CID 123674642
5-iodo-1,4-dinaphthalen-1-ylnaphthalene
CID 145347874
fluoranthene
CID 139203734
2-(2,3-difluoro-4-pyridinyl)-N-methylaniline
CID 154001326
ethane;N-methyl-2-(2-phosphanylphenyl)aniline
CID 142319745
2-fluoro-N-methyl-3-(2-methylphenyl)aniline
CID 144912363
1-iodobiphenylene
CID 23220849
7-chloro-8-fluoro-N-methylnaphthalen-1-amine
CID 164922493
N-methyl-2-(1H-pyrrol-2-yl)aniline
CID 163362412
7-iodo-N-methylnaphthalen-1-amine
CID 174691212
N-methyl-2-(3-methylphenyl)aniline
CID 59454343
2-(4-methoxyphenyl)-N-methylaniline
CID 12555620

Frequently Asked Questions

What is the IUPAC name of 2-(8-iodonaphthalen-1-yl)-N-methylaniline?
The IUPAC name of 2-(8-iodonaphthalen-1-yl)-N-methylaniline (CID 154707911) is 2-(8-iodonaphthalen-1-yl)-N-methylaniline.
What is the SMILES notation for 2-(8-iodonaphthalen-1-yl)-N-methylaniline?
The canonical SMILES for 2-(8-iodonaphthalen-1-yl)-N-methylaniline is CNc1ccccc1-c1cccc2cccc(I)c12.
What is the InChIKey of 2-(8-iodonaphthalen-1-yl)-N-methylaniline?
The InChIKey is LBSQUGLMZZKIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14IN/c1-19-16-11-3-2-8-13(16)14-9-4-6-12-7-5-10-15(18)17(12)14/h2-11,19H,1H3.
What are the key properties of 2-(8-iodonaphthalen-1-yl)-N-methylaniline?
2-(8-iodonaphthalen-1-yl)-N-methylaniline has a molecular weight of 359.21 g/mol, XLogP of 5.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-iodonaphthalen-1-yl)-N-methylaniline is sourced from PubChem (CID 154707911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).