2-[(4-fluorophenyl)methyl]-4-(oxolan-2-yl)butan-1-amine

C15H22FNO — CID 65166014

IUPAC2-[(4-fluorophenyl)methyl]-4-(oxolan-2-yl)butan-1-amine
SMILESNCC(CCC1CCCO1)Cc1ccc(F)cc1
InChIInChI=1S/C15H22FNO/c16-14-6-3-12(4-7-14)10-13(11-17)5-8-15-2-1-9-18-15/h3-4,6-7,13,15H,1-2,5,8-11,17H2
InChIKeyIHVPNZKKULCKRC-UHFFFAOYSA-N
MW251.34 g/mol
LogP2.90
Rot. Bonds6

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

2-[(4-fluorophenyl)methyl]-4-(oxolan-2-yl)butan-1-amine (PubChem CID 65166014) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-4-(oxolan-2-yl)butan-1-amine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-4-(oxolan-2-yl)butan-1-amine
PubChem CID65166014
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name2-[(4-fluorophenyl)methyl]-4-(oxolan-2-yl)butan-1-amine
SMILESNCC(CCC1CCCO1)Cc1ccc(F)cc1
InChIInChI=1S/C15H22FNO/c16-14-6-3-12(4-7-14)10-13(11-17)5-8-15-2-1-9-18-15/h3-4,6-7,13,15H,1-2,5,8-11,17H2
InChIKeyIHVPNZKKULCKRC-UHFFFAOYSA-N
XLogP2.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-4-(oxolan-2-yl)butan-1-amine?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-4-(oxolan-2-yl)butan-1-amine (CID 65166014) is 2-[(4-fluorophenyl)methyl]-4-(oxolan-2-yl)butan-1-amine.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-4-(oxolan-2-yl)butan-1-amine?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-4-(oxolan-2-yl)butan-1-amine is NCC(CCC1CCCO1)Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-4-(oxolan-2-yl)butan-1-amine?
The InChIKey is IHVPNZKKULCKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c16-14-6-3-12(4-7-14)10-13(11-17)5-8-15-2-1-9-18-15/h3-4,6-7,13,15H,1-2,5,8-11,17H2.
What are the key properties of 2-[(4-fluorophenyl)methyl]-4-(oxolan-2-yl)butan-1-amine?
2-[(4-fluorophenyl)methyl]-4-(oxolan-2-yl)butan-1-amine has a molecular weight of 251.34 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-4-(oxolan-2-yl)butan-1-amine is sourced from PubChem (CID 65166014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).