(4-fluoro-1-naphthalen-2-ylcyclohexyl)methanamine

C17H20FN — CID 58954943

IUPAC(4-fluoro-1-naphthalen-2-ylcyclohexyl)methanamine
SMILESNCC1(c2ccc3ccccc3c2)CCC(F)CC1
InChIInChI=1S/C17H20FN/c18-16-7-9-17(12-19,10-8-16)15-6-5-13-3-1-2-4-14(13)11-15/h1-6,11,16H,7-10,12,19H2
InChIKeyHMFJEFLRHYKEQB-UHFFFAOYSA-N
MW257.35 g/mol
LogP3.95
Rot. Bonds2

About (4-fluoro-1-naphthalen-2-ylcyclohexyl)methanamine

(4-fluoro-1-naphthalen-2-ylcyclohexyl)methanamine (PubChem CID 58954943) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is (4-fluoro-1-naphthalen-2-ylcyclohexyl)methanamine.

Molecular Properties

Compound Name(4-fluoro-1-naphthalen-2-ylcyclohexyl)methanamine
PubChem CID58954943
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC Name(4-fluoro-1-naphthalen-2-ylcyclohexyl)methanamine
SMILESNCC1(c2ccc3ccccc3c2)CCC(F)CC1
InChIInChI=1S/C17H20FN/c18-16-7-9-17(12-19,10-8-16)15-6-5-13-3-1-2-4-14(13)11-15/h1-6,11,16H,7-10,12,19H2
InChIKeyHMFJEFLRHYKEQB-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 ≤ 500257.35
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-1-naphthalen-2-ylcyclohexyl)methanamine?
The IUPAC name of (4-fluoro-1-naphthalen-2-ylcyclohexyl)methanamine (CID 58954943) is (4-fluoro-1-naphthalen-2-ylcyclohexyl)methanamine.
What is the SMILES notation for (4-fluoro-1-naphthalen-2-ylcyclohexyl)methanamine?
The canonical SMILES for (4-fluoro-1-naphthalen-2-ylcyclohexyl)methanamine is NCC1(c2ccc3ccccc3c2)CCC(F)CC1.
What is the InChIKey of (4-fluoro-1-naphthalen-2-ylcyclohexyl)methanamine?
The InChIKey is HMFJEFLRHYKEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c18-16-7-9-17(12-19,10-8-16)15-6-5-13-3-1-2-4-14(13)11-15/h1-6,11,16H,7-10,12,19H2.
What are the key properties of (4-fluoro-1-naphthalen-2-ylcyclohexyl)methanamine?
(4-fluoro-1-naphthalen-2-ylcyclohexyl)methanamine has a molecular weight of 257.35 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 (4-fluoro-1-naphthalen-2-ylcyclohexyl)methanamine is sourced from PubChem (CID 58954943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).