3-fluoro-3-naphthalen-2-ylcyclohexan-1-amine

C16H18FN — CID 112567408

IUPAC3-fluoro-3-naphthalen-2-ylcyclohexan-1-amine
SMILESNC1CCCC(F)(c2ccc3ccccc3c2)C1
InChIInChI=1S/C16H18FN/c17-16(9-3-6-15(18)11-16)14-8-7-12-4-1-2-5-13(12)10-14/h1-2,4-5,7-8,10,15H,3,6,9,11,18H2
InChIKeyJVQLRWJZFIUGHD-UHFFFAOYSA-N
MW243.33 g/mol
LogP3.91
Rot. Bonds1

About 3-fluoro-3-naphthalen-2-ylcyclohexan-1-amine

3-fluoro-3-naphthalen-2-ylcyclohexan-1-amine (PubChem CID 112567408) has the molecular formula C16H18FN and a molecular weight of 243.33 g/mol. Its IUPAC name is 3-fluoro-3-naphthalen-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name3-fluoro-3-naphthalen-2-ylcyclohexan-1-amine
PubChem CID112567408
Molecular FormulaC16H18FN
Molecular Weight243.33 g/mol
Exact Mass243.14
IUPAC Name3-fluoro-3-naphthalen-2-ylcyclohexan-1-amine
SMILESNC1CCCC(F)(c2ccc3ccccc3c2)C1
InChIInChI=1S/C16H18FN/c17-16(9-3-6-15(18)11-16)14-8-7-12-4-1-2-5-13(12)10-14/h1-2,4-5,7-8,10,15H,3,6,9,11,18H2
InChIKeyJVQLRWJZFIUGHD-UHFFFAOYSA-N
XLogP3.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-naphthalen-2-ylcyclohexan-1-amine?
The IUPAC name of 3-fluoro-3-naphthalen-2-ylcyclohexan-1-amine (CID 112567408) is 3-fluoro-3-naphthalen-2-ylcyclohexan-1-amine.
What is the SMILES notation for 3-fluoro-3-naphthalen-2-ylcyclohexan-1-amine?
The canonical SMILES for 3-fluoro-3-naphthalen-2-ylcyclohexan-1-amine is NC1CCCC(F)(c2ccc3ccccc3c2)C1.
What is the InChIKey of 3-fluoro-3-naphthalen-2-ylcyclohexan-1-amine?
The InChIKey is JVQLRWJZFIUGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN/c17-16(9-3-6-15(18)11-16)14-8-7-12-4-1-2-5-13(12)10-14/h1-2,4-5,7-8,10,15H,3,6,9,11,18H2.
What are the key properties of 3-fluoro-3-naphthalen-2-ylcyclohexan-1-amine?
3-fluoro-3-naphthalen-2-ylcyclohexan-1-amine has a molecular weight of 243.33 g/mol, XLogP of 3.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-naphthalen-2-ylcyclohexan-1-amine is sourced from PubChem (CID 112567408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).