7-fluoro-1-propan-2-ylnaphthalen-2-amine

C13H14FN — CID 115057667

IUPAC7-fluoro-1-propan-2-ylnaphthalen-2-amine
SMILESCC(C)c1c(N)ccc2ccc(F)cc12
InChIInChI=1S/C13H14FN/c1-8(2)13-11-7-10(14)5-3-9(11)4-6-12(13)15/h3-8H,15H2,1-2H3
InChIKeyJVNPANWZIYUJKR-UHFFFAOYSA-N
MW203.26 g/mol
LogP3.68
Rot. Bonds1

About 7-fluoro-1-propan-2-ylnaphthalen-2-amine

7-fluoro-1-propan-2-ylnaphthalen-2-amine (PubChem CID 115057667) has the molecular formula C13H14FN and a molecular weight of 203.26 g/mol. Its IUPAC name is 7-fluoro-1-propan-2-ylnaphthalen-2-amine.

Molecular Properties

Compound Name7-fluoro-1-propan-2-ylnaphthalen-2-amine
PubChem CID115057667
Molecular FormulaC13H14FN
Molecular Weight203.26 g/mol
Exact Mass203.11
IUPAC Name7-fluoro-1-propan-2-ylnaphthalen-2-amine
SMILESCC(C)c1c(N)ccc2ccc(F)cc12
InChIInChI=1S/C13H14FN/c1-8(2)13-11-7-10(14)5-3-9(11)4-6-12(13)15/h3-8H,15H2,1-2H3
InChIKeyJVNPANWZIYUJKR-UHFFFAOYSA-N
XLogP3.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,6-difluoronaphthalen-2-amine
CID 115015312
3-propan-2-ylbenzene-1,2,4-triamine
CID 66850331
1-(7-fluoroisoquinolin-1-yl)ethanamine
CID 82575695
1-[1-(2-aminonaphthalen-1-yl)ethyl]naphthalen-2-amine
CID 139712413
5-fluoro-2,3-di(propan-2-yl)-1-benzothiophene
CID 58128812
2-(3-aminobutyl)-4-fluoroaniline
CID 105440162
5-fluoro-2-(2-methylpropyl)aniline
CID 105433538
4,7-difluoronaphthalen-1-amine
CID 115015314
1-(2-amino-5-fluorophenyl)-3-methylbutan-1-ol
CID 82685546
1-ethyl-7-fluoroisoquinolin-3-amine
CID 146652892
2-[(1R)-1-amino-2-methylpropyl]-4-fluoroaniline;dihydrochloride
CID 162344478
5-methyl-7-(3-methylbut-3-enyl)-1-propan-2-ylnaphthalen-2-amine
CID 143661183

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-propan-2-ylnaphthalen-2-amine?
The IUPAC name of 7-fluoro-1-propan-2-ylnaphthalen-2-amine (CID 115057667) is 7-fluoro-1-propan-2-ylnaphthalen-2-amine.
What is the SMILES notation for 7-fluoro-1-propan-2-ylnaphthalen-2-amine?
The canonical SMILES for 7-fluoro-1-propan-2-ylnaphthalen-2-amine is CC(C)c1c(N)ccc2ccc(F)cc12.
What is the InChIKey of 7-fluoro-1-propan-2-ylnaphthalen-2-amine?
The InChIKey is JVNPANWZIYUJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN/c1-8(2)13-11-7-10(14)5-3-9(11)4-6-12(13)15/h3-8H,15H2,1-2H3.
What are the key properties of 7-fluoro-1-propan-2-ylnaphthalen-2-amine?
7-fluoro-1-propan-2-ylnaphthalen-2-amine has a molecular weight of 203.26 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-propan-2-ylnaphthalen-2-amine is sourced from PubChem (CID 115057667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).