N-(3-fluorophenyl)oxan-4-amine

C11H14FNO — CID 43608420

IUPACN-(3-fluorophenyl)oxan-4-amine
SMILESC1COCCC1NC2=CC(=CC=C2)F
InChIInChI=1S/C11H14FNO/c12-9-2-1-3-11(8-9)13-10-4-6-14-7-5-10/h1-3,8,10,13H,4-7H2
InChIKeyFRHVUMCYJFROSX-UHFFFAOYSA-N
MW195.23 g/mol
LogP2.40
Rot. Bonds2

About N-(3-fluorophenyl)oxan-4-amine

N-(3-fluorophenyl)oxan-4-amine (PubChem CID 43608420) has the molecular formula C11H14FNO and a molecular weight of 195.23 g/mol. Its IUPAC name is N-(3-fluorophenyl)oxan-4-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)oxan-4-amine
PubChem CID43608420
Molecular FormulaC11H14FNO
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC NameN-(3-fluorophenyl)oxan-4-amine
SMILESC1COCCC1NC2=CC(=CC=C2)F
InChIInChI=1S/C11H14FNO/c12-9-2-1-3-11(8-9)13-10-4-6-14-7-5-10/h1-3,8,10,13H,4-7H2
InChIKeyFRHVUMCYJFROSX-UHFFFAOYSA-N
XLogP2.40
TPSA21.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity171

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-((4-Fluorophenyl)amino)ethan-1-ol
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N-(2-methoxyethyl)aniline
CID 1581105
N-cyclopentyl-4-fluoroaniline
CID 28466124
N-Allyl-N-(4-fluorophenyl)amine
CID 11829634
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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)oxan-4-amine?
The IUPAC name of N-(3-fluorophenyl)oxan-4-amine (CID 43608420) is N-(3-fluorophenyl)oxan-4-amine.
What is the SMILES notation for N-(3-fluorophenyl)oxan-4-amine?
The canonical SMILES for N-(3-fluorophenyl)oxan-4-amine is C1COCCC1NC2=CC(=CC=C2)F.
What is the InChIKey of N-(3-fluorophenyl)oxan-4-amine?
The InChIKey is FRHVUMCYJFROSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c12-9-2-1-3-11(8-9)13-10-4-6-14-7-5-10/h1-3,8,10,13H,4-7H2.
What are the key properties of N-(3-fluorophenyl)oxan-4-amine?
N-(3-fluorophenyl)oxan-4-amine has a molecular weight of 195.23 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)oxan-4-amine is sourced from PubChem (CID 43608420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).