2-[(4-fluorophenyl)methyl]-4-phenoxybutan-1-amine

C17H20FNO — CID 62528582

IUPAC2-[(4-fluorophenyl)methyl]-4-phenoxybutan-1-amine
SMILESNCC(CCOc1ccccc1)Cc1ccc(F)cc1
InChIInChI=1S/C17H20FNO/c18-16-8-6-14(7-9-16)12-15(13-19)10-11-20-17-4-2-1-3-5-17/h1-9,15H,10-13,19H2
InChIKeyDSJRDUCGEIZLEM-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.41
Rot. Bonds7

About 2-[(4-fluorophenyl)methyl]-4-phenoxybutan-1-amine

2-[(4-fluorophenyl)methyl]-4-phenoxybutan-1-amine (PubChem CID 62528582) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-4-phenoxybutan-1-amine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-4-phenoxybutan-1-amine
PubChem CID62528582
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name2-[(4-fluorophenyl)methyl]-4-phenoxybutan-1-amine
SMILESNCC(CCOc1ccccc1)Cc1ccc(F)cc1
InChIInChI=1S/C17H20FNO/c18-16-8-6-14(7-9-16)12-15(13-19)10-11-20-17-4-2-1-3-5-17/h1-9,15H,10-13,19H2
InChIKeyDSJRDUCGEIZLEM-UHFFFAOYSA-N
XLogP3.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.41
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-phenoxybutan-1-amine?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-4-phenoxybutan-1-amine (CID 62528582) is 2-[(4-fluorophenyl)methyl]-4-phenoxybutan-1-amine.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-4-phenoxybutan-1-amine?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-4-phenoxybutan-1-amine is NCC(CCOc1ccccc1)Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-4-phenoxybutan-1-amine?
The InChIKey is DSJRDUCGEIZLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c18-16-8-6-14(7-9-16)12-15(13-19)10-11-20-17-4-2-1-3-5-17/h1-9,15H,10-13,19H2.
What are the key properties of 2-[(4-fluorophenyl)methyl]-4-phenoxybutan-1-amine?
2-[(4-fluorophenyl)methyl]-4-phenoxybutan-1-amine has a molecular weight of 273.35 g/mol, XLogP of 3.41, 7 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-phenoxybutan-1-amine is sourced from PubChem (CID 62528582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).