(3-fluorophenyl)-(2-methylnaphthalen-1-yl)methanamine

C18H16FN — CID 81430027

IUPAC(3-fluorophenyl)-(2-methylnaphthalen-1-yl)methanamine
SMILESCc1ccc2ccccc2c1C(N)c1cccc(F)c1
InChIInChI=1S/C18H16FN/c1-12-9-10-13-5-2-3-8-16(13)17(12)18(20)14-6-4-7-15(19)11-14/h2-11,18H,20H2,1H3
InChIKeyTYADPZAFBGVGFX-UHFFFAOYSA-N
MW265.33 g/mol
LogP4.34
Rot. Bonds2

About (3-fluorophenyl)-(2-methylnaphthalen-1-yl)methanamine

(3-fluorophenyl)-(2-methylnaphthalen-1-yl)methanamine (PubChem CID 81430027) has the molecular formula C18H16FN and a molecular weight of 265.33 g/mol. Its IUPAC name is (3-fluorophenyl)-(2-methylnaphthalen-1-yl)methanamine.

Molecular Properties

Compound Name(3-fluorophenyl)-(2-methylnaphthalen-1-yl)methanamine
PubChem CID81430027
Molecular FormulaC18H16FN
Molecular Weight265.33 g/mol
Exact Mass265.13
IUPAC Name(3-fluorophenyl)-(2-methylnaphthalen-1-yl)methanamine
SMILESCc1ccc2ccccc2c1C(N)c1cccc(F)c1
InChIInChI=1S/C18H16FN/c1-12-9-10-13-5-2-3-8-16(13)17(12)18(20)14-6-4-7-15(19)11-14/h2-11,18H,20H2,1H3
InChIKeyTYADPZAFBGVGFX-UHFFFAOYSA-N
XLogP4.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-(2-methylnaphthalen-1-yl)methanamine?
The IUPAC name of (3-fluorophenyl)-(2-methylnaphthalen-1-yl)methanamine (CID 81430027) is (3-fluorophenyl)-(2-methylnaphthalen-1-yl)methanamine.
What is the SMILES notation for (3-fluorophenyl)-(2-methylnaphthalen-1-yl)methanamine?
The canonical SMILES for (3-fluorophenyl)-(2-methylnaphthalen-1-yl)methanamine is Cc1ccc2ccccc2c1C(N)c1cccc(F)c1.
What is the InChIKey of (3-fluorophenyl)-(2-methylnaphthalen-1-yl)methanamine?
The InChIKey is TYADPZAFBGVGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN/c1-12-9-10-13-5-2-3-8-16(13)17(12)18(20)14-6-4-7-15(19)11-14/h2-11,18H,20H2,1H3.
What are the key properties of (3-fluorophenyl)-(2-methylnaphthalen-1-yl)methanamine?
(3-fluorophenyl)-(2-methylnaphthalen-1-yl)methanamine has a molecular weight of 265.33 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-(2-methylnaphthalen-1-yl)methanamine is sourced from PubChem (CID 81430027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).