(5-fluoro-1-methylnaphthalen-2-yl)methanamine

C12H12FN — CID 115057589

IUPAC(5-fluoro-1-methylnaphthalen-2-yl)methanamine
SMILESCc1c(CN)ccc2c(F)cccc12
InChIInChI=1S/C12H12FN/c1-8-9(7-14)5-6-11-10(8)3-2-4-12(11)13/h2-6H,7,14H2,1H3
InChIKeyGOTNOUFOIJXSDF-UHFFFAOYSA-N
MW189.23 g/mol
LogP2.75
Rot. Bonds1

About (5-fluoro-1-methylnaphthalen-2-yl)methanamine

(5-fluoro-1-methylnaphthalen-2-yl)methanamine (PubChem CID 115057589) has the molecular formula C12H12FN and a molecular weight of 189.23 g/mol. Its IUPAC name is (5-fluoro-1-methylnaphthalen-2-yl)methanamine.

Molecular Properties

Compound Name(5-fluoro-1-methylnaphthalen-2-yl)methanamine
PubChem CID115057589
Molecular FormulaC12H12FN
Molecular Weight189.23 g/mol
Exact Mass189.10
IUPAC Name(5-fluoro-1-methylnaphthalen-2-yl)methanamine
SMILESCc1c(CN)ccc2c(F)cccc12
InChIInChI=1S/C12H12FN/c1-8-9(7-14)5-6-11-10(8)3-2-4-12(11)13/h2-6H,7,14H2,1H3
InChIKeyGOTNOUFOIJXSDF-UHFFFAOYSA-N
XLogP2.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5-chloro-1-methylnaphthalen-2-yl)methanamine
CID 115057593
(2,4-difluoro-3-methylphenyl)methanamine
CID 11469203
(3-chloro-4-fluoro-2-methylphenyl)methanamine
CID 84766568
(2,3-difluorophenyl)methanamine
CID 2736941
[3-(aminomethyl)-2-methylphenyl]methanol
CID 45091737
(4-fluoro-1-methylnaphthalen-2-yl)methanol
CID 130126429
5-ethyl-2-fluoro-1-methylnaphthalene
CID 172577090
1-ethyl-5-fluoro-2-methylnaphthalene
CID 146553959
2-[2-(aminomethyl)-6-fluorophenoxy]-N-methylpropanamide
CID 112608112
2-(5-fluoronaphthalen-1-yl)propan-1-amine
CID 105455459
(7-fluoro-1-benzothiophen-3-yl)methanamine
CID 83398009
1-fluoro-5-propylnaphthalene
CID 143275008

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1-methylnaphthalen-2-yl)methanamine?
The IUPAC name of (5-fluoro-1-methylnaphthalen-2-yl)methanamine (CID 115057589) is (5-fluoro-1-methylnaphthalen-2-yl)methanamine.
What is the SMILES notation for (5-fluoro-1-methylnaphthalen-2-yl)methanamine?
The canonical SMILES for (5-fluoro-1-methylnaphthalen-2-yl)methanamine is Cc1c(CN)ccc2c(F)cccc12.
What is the InChIKey of (5-fluoro-1-methylnaphthalen-2-yl)methanamine?
The InChIKey is GOTNOUFOIJXSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN/c1-8-9(7-14)5-6-11-10(8)3-2-4-12(11)13/h2-6H,7,14H2,1H3.
What are the key properties of (5-fluoro-1-methylnaphthalen-2-yl)methanamine?
(5-fluoro-1-methylnaphthalen-2-yl)methanamine has a molecular weight of 189.23 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1-methylnaphthalen-2-yl)methanamine is sourced from PubChem (CID 115057589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).