N-fluoro-9-methyl-1H-phenalen-1-amine

C14H12FN — CID 153367407

IUPACN-fluoro-9-methyl-1H-phenalen-1-amine
SMILESCc1ccc2cccc3c2c1C(NF)C=C3
InChIInChI=1S/C14H12FN/c1-9-5-6-10-3-2-4-11-7-8-12(16-15)13(9)14(10)11/h2-8,12,16H,1H3
InChIKeyDLTOYKUUGARMSN-UHFFFAOYSA-N
MW213.25 g/mol
LogP3.69
Rot. Bonds1

About N-fluoro-9-methyl-1H-phenalen-1-amine

N-fluoro-9-methyl-1H-phenalen-1-amine (PubChem CID 153367407) has the molecular formula C14H12FN and a molecular weight of 213.25 g/mol. Its IUPAC name is N-fluoro-9-methyl-1H-phenalen-1-amine.

Molecular Properties

Compound NameN-fluoro-9-methyl-1H-phenalen-1-amine
PubChem CID153367407
Molecular FormulaC14H12FN
Molecular Weight213.25 g/mol
Exact Mass213.10
IUPAC NameN-fluoro-9-methyl-1H-phenalen-1-amine
SMILESCc1ccc2cccc3c2c1C(NF)C=C3
InChIInChI=1S/C14H12FN/c1-9-5-6-10-3-2-4-11-7-8-12(16-15)13(9)14(10)11/h2-8,12,16H,1H3
InChIKeyDLTOYKUUGARMSN-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

dimethyl-[9-(methylamino)-9H-phenalen-1-yl]azanium tetrafluoroborate
CID 88723036
N-(1H-phenalen-1-yl)-1H-phenalen-1-amine
CID 23024201
9-amino-1H-phenalen-1-ol
CID 82371874
acenaphthylene;ethane
CID 54237459
9-ethoxy-N-propan-2-yl-9H-phenalen-1-amine
CID 54207105
acenaphthylene;1,3,5-trimethylbenzene
CID 175249677
7-methyl-1H-inden-1-amine
CID 82157961
acenaphthylene;benzene
CID 161131509
CID 174146075
CID 174146075
1-chloro-1H-phenalene
CID 118456888
7-methyl-1-[2-(7-methyl-1H-inden-1-yl)ethyl]-1H-indene
CID 22482576
4,21-dimethylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
CID 177492723

Frequently Asked Questions

What is the IUPAC name of N-fluoro-9-methyl-1H-phenalen-1-amine?
The IUPAC name of N-fluoro-9-methyl-1H-phenalen-1-amine (CID 153367407) is N-fluoro-9-methyl-1H-phenalen-1-amine.
What is the SMILES notation for N-fluoro-9-methyl-1H-phenalen-1-amine?
The canonical SMILES for N-fluoro-9-methyl-1H-phenalen-1-amine is Cc1ccc2cccc3c2c1C(NF)C=C3.
What is the InChIKey of N-fluoro-9-methyl-1H-phenalen-1-amine?
The InChIKey is DLTOYKUUGARMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN/c1-9-5-6-10-3-2-4-11-7-8-12(16-15)13(9)14(10)11/h2-8,12,16H,1H3.
What are the key properties of N-fluoro-9-methyl-1H-phenalen-1-amine?
N-fluoro-9-methyl-1H-phenalen-1-amine has a molecular weight of 213.25 g/mol, XLogP of 3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-9-methyl-1H-phenalen-1-amine is sourced from PubChem (CID 153367407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).