1-(2-fluorophenyl)-4-(oxolan-2-yl)butan-2-amine

C14H20FNO — CID 65164593

IUPAC1-(2-fluorophenyl)-4-(oxolan-2-yl)butan-2-amine
SMILESNC(CCC1CCCO1)Cc1ccccc1F
InChIInChI=1S/C14H20FNO/c15-14-6-2-1-4-11(14)10-12(16)7-8-13-5-3-9-17-13/h1-2,4,6,12-13H,3,5,7-10,16H2
InChIKeyWFGNWOZZGQHJNC-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.65
Rot. Bonds5

About 1-(2-fluorophenyl)-4-(oxolan-2-yl)butan-2-amine

1-(2-fluorophenyl)-4-(oxolan-2-yl)butan-2-amine (PubChem CID 65164593) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-(oxolan-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-(oxolan-2-yl)butan-2-amine
PubChem CID65164593
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name1-(2-fluorophenyl)-4-(oxolan-2-yl)butan-2-amine
SMILESNC(CCC1CCCO1)Cc1ccccc1F
InChIInChI=1S/C14H20FNO/c15-14-6-2-1-4-11(14)10-12(16)7-8-13-5-3-9-17-13/h1-2,4,6,12-13H,3,5,7-10,16H2
InChIKeyWFGNWOZZGQHJNC-UHFFFAOYSA-N
XLogP2.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylphenyl)-4-(oxan-2-yl)butan-2-amine
CID 63951754
4-cyclopentyl-1-(2-fluorophenyl)butan-2-amine
CID 61080006
1-(furan-2-yl)-4-(oxolan-2-yl)butan-2-amine
CID 105029349
1-(2-chlorophenyl)-5-(oxolan-2-yl)pentan-2-amine
CID 65164797
1-(2-fluoro-3-methoxyphenyl)-4-(oxan-2-yl)butan-2-amine
CID 105035512
1-naphthalen-1-yl-5-(oxolan-2-yl)pentan-2-amine
CID 105156579
1,5-bis(oxolan-2-yl)pentan-3-amine
CID 104993652
1-(3,5-difluorophenyl)-4-(oxan-2-yl)butan-2-amine
CID 105412483
1-(4-chlorophenyl)-4-(oxan-2-yl)butan-2-amine
CID 63951355
1-(1,3-dioxolan-2-yl)-3-(2-fluorophenyl)propan-2-amine
CID 103543902
2-[(2-fluorophenyl)methyl]oxane
CID 20724373
1-(2,3-difluorophenyl)-5-(oxolan-2-yl)pentan-2-ol
CID 115808969

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-(oxolan-2-yl)butan-2-amine?
The IUPAC name of 1-(2-fluorophenyl)-4-(oxolan-2-yl)butan-2-amine (CID 65164593) is 1-(2-fluorophenyl)-4-(oxolan-2-yl)butan-2-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-4-(oxolan-2-yl)butan-2-amine?
The canonical SMILES for 1-(2-fluorophenyl)-4-(oxolan-2-yl)butan-2-amine is NC(CCC1CCCO1)Cc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-4-(oxolan-2-yl)butan-2-amine?
The InChIKey is WFGNWOZZGQHJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c15-14-6-2-1-4-11(14)10-12(16)7-8-13-5-3-9-17-13/h1-2,4,6,12-13H,3,5,7-10,16H2.
What are the key properties of 1-(2-fluorophenyl)-4-(oxolan-2-yl)butan-2-amine?
1-(2-fluorophenyl)-4-(oxolan-2-yl)butan-2-amine has a molecular weight of 237.32 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-(oxolan-2-yl)butan-2-amine is sourced from PubChem (CID 65164593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).