(3-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine

C17H18FN — CID 63247325

IUPAC(3-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
SMILESNC(c1cccc(F)c1)C1CCCc2ccccc21
InChIInChI=1S/C17H18FN/c18-14-8-3-7-13(11-14)17(19)16-10-4-6-12-5-1-2-9-15(12)16/h1-3,5,7-9,11,16-17H,4,6,10,19H2
InChIKeyGIHZMSGUFNGNSB-UHFFFAOYSA-N
MW255.34 g/mol
LogP3.95
Rot. Bonds2

About (3-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine

(3-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine (PubChem CID 63247325) has the molecular formula C17H18FN and a molecular weight of 255.34 g/mol. Its IUPAC name is (3-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine.

Molecular Properties

Compound Name(3-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
PubChem CID63247325
Molecular FormulaC17H18FN
Molecular Weight255.34 g/mol
Exact Mass255.14
IUPAC Name(3-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
SMILESNC(c1cccc(F)c1)C1CCCc2ccccc21
InChIInChI=1S/C17H18FN/c18-14-8-3-7-13(11-14)17(19)16-10-4-6-12-5-1-2-9-15(12)16/h1-3,5,7-9,11,16-17H,4,6,10,19H2
InChIKeyGIHZMSGUFNGNSB-UHFFFAOYSA-N
XLogP3.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine?
The IUPAC name of (3-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine (CID 63247325) is (3-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine.
What is the SMILES notation for (3-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine?
The canonical SMILES for (3-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine is NC(c1cccc(F)c1)C1CCCc2ccccc21.
What is the InChIKey of (3-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine?
The InChIKey is GIHZMSGUFNGNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN/c18-14-8-3-7-13(11-14)17(19)16-10-4-6-12-5-1-2-9-15(12)16/h1-3,5,7-9,11,16-17H,4,6,10,19H2.
What are the key properties of (3-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine?
(3-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine has a molecular weight of 255.34 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine is sourced from PubChem (CID 63247325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).