3-[(2-fluorophenyl)methylamino]-1-phenylpropan-1-ol

C16H18FNO — CID 12951841

IUPAC3-[(2-fluorophenyl)methylamino]-1-phenylpropan-1-ol
SMILESOC(CCNCc1ccccc1F)c1ccccc1
InChIInChI=1S/C16H18FNO/c17-15-9-5-4-8-14(15)12-18-11-10-16(19)13-6-2-1-3-7-13/h1-9,16,18-19H,10-12H2
InChIKeyCKFOMFSPOHEIGU-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.04
Rot. Bonds6

About 3-[(2-fluorophenyl)methylamino]-1-phenylpropan-1-ol

3-[(2-fluorophenyl)methylamino]-1-phenylpropan-1-ol (PubChem CID 12951841) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methylamino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methylamino]-1-phenylpropan-1-ol
PubChem CID12951841
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name3-[(2-fluorophenyl)methylamino]-1-phenylpropan-1-ol
SMILESOC(CCNCc1ccccc1F)c1ccccc1
InChIInChI=1S/C16H18FNO/c17-15-9-5-4-8-14(15)12-18-11-10-16(19)13-6-2-1-3-7-13/h1-9,16,18-19H,10-12H2
InChIKeyCKFOMFSPOHEIGU-UHFFFAOYSA-N
XLogP3.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-fluorophenyl)-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 111472132
4-[(2-fluorophenyl)methylamino]-2-methylbutanoic acid
CID 115220769
6-[(2-fluorophenyl)methylamino]-4-methylhexanoic acid
CID 65290029
2-[(2-fluorophenyl)methylamino]acetic acid
CID 5005584
2-[(2,3-difluorophenyl)methylamino]-1-phenylethanol
CID 43425224
N-[(2-fluorophenyl)methyl]-3-methylsulfanylbutan-1-amine
CID 115604329
2-[(2,5-difluorophenyl)methylamino]-1-phenylethanol
CID 43499154
2-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]ethanamine;hydrochloride
CID 17294165
(1R)-1-phenyl-3-(2-phenylethylamino)propan-1-ol
CID 94271411
4-[2-[(2-fluorophenyl)methylamino]-1-hydroxyethyl]benzonitrile
CID 60899902
N-ethyl-N'-[(2-fluorophenyl)methyl]ethane-1,2-diamine
CID 83962888
(1R)-2-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylamino]-1-phenylethanol
CID 124785545

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methylamino]-1-phenylpropan-1-ol?
The IUPAC name of 3-[(2-fluorophenyl)methylamino]-1-phenylpropan-1-ol (CID 12951841) is 3-[(2-fluorophenyl)methylamino]-1-phenylpropan-1-ol.
What is the SMILES notation for 3-[(2-fluorophenyl)methylamino]-1-phenylpropan-1-ol?
The canonical SMILES for 3-[(2-fluorophenyl)methylamino]-1-phenylpropan-1-ol is OC(CCNCc1ccccc1F)c1ccccc1.
What is the InChIKey of 3-[(2-fluorophenyl)methylamino]-1-phenylpropan-1-ol?
The InChIKey is CKFOMFSPOHEIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c17-15-9-5-4-8-14(15)12-18-11-10-16(19)13-6-2-1-3-7-13/h1-9,16,18-19H,10-12H2.
What are the key properties of 3-[(2-fluorophenyl)methylamino]-1-phenylpropan-1-ol?
3-[(2-fluorophenyl)methylamino]-1-phenylpropan-1-ol has a molecular weight of 259.32 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methylamino]-1-phenylpropan-1-ol is sourced from PubChem (CID 12951841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).