3-[1-fluoro-3-(methylamino)propyl]phenol

C10H14FNO — CID 105440574

IUPAC3-[1-fluoro-3-(methylamino)propyl]phenol
SMILESCNCCC(F)c1cccc(O)c1
InChIInChI=1S/C10H14FNO/c1-12-6-5-10(11)8-3-2-4-9(13)7-8/h2-4,7,10,12-13H,5-6H2,1H3
InChIKeySYXSJCJRPVFYIA-UHFFFAOYSA-N
MW183.23 g/mol
LogP2.01
Rot. Bonds4

About 3-[1-fluoro-3-(methylamino)propyl]phenol

3-[1-fluoro-3-(methylamino)propyl]phenol (PubChem CID 105440574) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 3-[1-fluoro-3-(methylamino)propyl]phenol.

Molecular Properties

Compound Name3-[1-fluoro-3-(methylamino)propyl]phenol
PubChem CID105440574
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name3-[1-fluoro-3-(methylamino)propyl]phenol
SMILESCNCCC(F)c1cccc(O)c1
InChIInChI=1S/C10H14FNO/c1-12-6-5-10(11)8-3-2-4-9(13)7-8/h2-4,7,10,12-13H,5-6H2,1H3
InChIKeySYXSJCJRPVFYIA-UHFFFAOYSA-N
XLogP2.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-fluoro-3-(methylamino)propyl]phenol?
The IUPAC name of 3-[1-fluoro-3-(methylamino)propyl]phenol (CID 105440574) is 3-[1-fluoro-3-(methylamino)propyl]phenol.
What is the SMILES notation for 3-[1-fluoro-3-(methylamino)propyl]phenol?
The canonical SMILES for 3-[1-fluoro-3-(methylamino)propyl]phenol is CNCCC(F)c1cccc(O)c1.
What is the InChIKey of 3-[1-fluoro-3-(methylamino)propyl]phenol?
The InChIKey is SYXSJCJRPVFYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-12-6-5-10(11)8-3-2-4-9(13)7-8/h2-4,7,10,12-13H,5-6H2,1H3.
What are the key properties of 3-[1-fluoro-3-(methylamino)propyl]phenol?
3-[1-fluoro-3-(methylamino)propyl]phenol has a molecular weight of 183.23 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-fluoro-3-(methylamino)propyl]phenol is sourced from PubChem (CID 105440574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).