1-[(3-fluorophenyl)methylamino]propan-1-ol

C10H14FNO — CID 90777297

IUPAC1-[(3-fluorophenyl)methylamino]propan-1-ol
SMILESCCC(O)NCc1cccc(F)c1
InChIInChI=1S/C10H14FNO/c1-2-10(13)12-7-8-4-3-5-9(11)6-8/h3-6,10,12-13H,2,7H2,1H3
InChIKeyGYJCJKHEOMBPQS-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.64
Rot. Bonds4

About 1-[(3-fluorophenyl)methylamino]propan-1-ol

1-[(3-fluorophenyl)methylamino]propan-1-ol (PubChem CID 90777297) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methylamino]propan-1-ol.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methylamino]propan-1-ol
PubChem CID90777297
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name1-[(3-fluorophenyl)methylamino]propan-1-ol
SMILESCCC(O)NCc1cccc(F)c1
InChIInChI=1S/C10H14FNO/c1-2-10(13)12-7-8-4-3-5-9(11)6-8/h3-6,10,12-13H,2,7H2,1H3
InChIKeyGYJCJKHEOMBPQS-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[(3-fluorophenyl)methylamino]butan-1-ol
CID 28723169
N-[(3-fluorophenyl)methyl]-1-methylsulfanylbutan-2-amine
CID 115900017
(1R)-1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-1-amine
CID 28970329
N-[(3-fluorophenyl)methyl]-3-methylbutan-2-amine
CID 43085072
3-[(3-fluorophenyl)methylamino]butan-1-ol
CID 78997881
3-[(3-fluorophenyl)methylamino]-2-methylbutan-1-ol
CID 111448702
2-[(3-fluorophenyl)methylamino]propanoic acid
CID 16768986
1-ethylsulfonyl-N-[(3-fluorophenyl)methyl]propan-2-amine
CID 115626138
1-(2,6-difluorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
CID 43123250
(2R)-2-[(3-fluorophenyl)methylamino]-N-methylpropanamide
CID 28970574
4-bromo-2-[1-[(3-fluorophenyl)methylamino]propyl]phenol
CID 43123237
1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine
CID 55026029

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methylamino]propan-1-ol?
The IUPAC name of 1-[(3-fluorophenyl)methylamino]propan-1-ol (CID 90777297) is 1-[(3-fluorophenyl)methylamino]propan-1-ol.
What is the SMILES notation for 1-[(3-fluorophenyl)methylamino]propan-1-ol?
The canonical SMILES for 1-[(3-fluorophenyl)methylamino]propan-1-ol is CCC(O)NCc1cccc(F)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methylamino]propan-1-ol?
The InChIKey is GYJCJKHEOMBPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-2-10(13)12-7-8-4-3-5-9(11)6-8/h3-6,10,12-13H,2,7H2,1H3.
What are the key properties of 1-[(3-fluorophenyl)methylamino]propan-1-ol?
1-[(3-fluorophenyl)methylamino]propan-1-ol has a molecular weight of 183.23 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methylamino]propan-1-ol is sourced from PubChem (CID 90777297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).