(1R)-3-(benzylamino)-1-(4-fluorophenyl)propan-1-ol

C16H18FNO — CID 92974372

IUPAC(1R)-3-(benzylamino)-1-(4-fluorophenyl)propan-1-ol
SMILESO[C@H](CCNCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C16H18FNO/c17-15-8-6-14(7-9-15)16(19)10-11-18-12-13-4-2-1-3-5-13/h1-9,16,18-19H,10-12H2/t16-/m1/s1
InChIKeyUCLTVWFJGMGLJB-MRXNPFEDSA-N
MW259.32 g/mol
LogP3.04
Rot. Bonds6

About (1R)-3-(benzylamino)-1-(4-fluorophenyl)propan-1-ol

(1R)-3-(benzylamino)-1-(4-fluorophenyl)propan-1-ol (PubChem CID 92974372) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is (1R)-3-(benzylamino)-1-(4-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name(1R)-3-(benzylamino)-1-(4-fluorophenyl)propan-1-ol
PubChem CID92974372
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name(1R)-3-(benzylamino)-1-(4-fluorophenyl)propan-1-ol
SMILESO[C@H](CCNCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C16H18FNO/c17-15-8-6-14(7-9-15)16(19)10-11-18-12-13-4-2-1-3-5-13/h1-9,16,18-19H,10-12H2/t16-/m1/s1
InChIKeyUCLTVWFJGMGLJB-MRXNPFEDSA-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

(1S,2R)-(+)-2-Amino-1,2-diphenylethanol
CID 719822
Benzyl alcohol, alpha-(phenethylamino)methyl-
CID 20118
alpha-((Cyclohexylamino)methyl)benzenemethanol
CID 23064
Benzenemethanol, alpha-((bis(phenylmethyl)amino)methyl)-
CID 48897
2-(Benzylamino)-1-[3-(trifluoromethyl)phenyl]ethan-1-ol
CID 23647917
2-{[(2-Methylphenyl)methyl]amino}-1-[3-(trifluoromethyl)phenyl]ethan-1-ol
CID 23647918
2-(Benzylamino)-1-phenylethanol
CID 229746
2-Amino-1,2-diphenylethanol
CID 22243
alpha-((Ethylamino)methyl)benzenemethanol
CID 95618
(1R,2S)-(-)-2-Amino-1,2-diphenylethanol
CID 719819
2-[(4-Ethylphenyl)methylamino]-1-phenylethanol;hydrochloride
CID 6459920
1-Phenyl-2-[(4-propan-2-ylphenyl)methylamino]ethanol;hydrochloride
CID 6464095

Frequently Asked Questions

What is the IUPAC name of (1R)-3-(benzylamino)-1-(4-fluorophenyl)propan-1-ol?
The IUPAC name of (1R)-3-(benzylamino)-1-(4-fluorophenyl)propan-1-ol (CID 92974372) is (1R)-3-(benzylamino)-1-(4-fluorophenyl)propan-1-ol.
What is the SMILES notation for (1R)-3-(benzylamino)-1-(4-fluorophenyl)propan-1-ol?
The canonical SMILES for (1R)-3-(benzylamino)-1-(4-fluorophenyl)propan-1-ol is O[C@H](CCNCc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of (1R)-3-(benzylamino)-1-(4-fluorophenyl)propan-1-ol?
The InChIKey is UCLTVWFJGMGLJB-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H18FNO/c17-15-8-6-14(7-9-15)16(19)10-11-18-12-13-4-2-1-3-5-13/h1-9,16,18-19H,10-12H2/t16-/m1/s1.
What are the key properties of (1R)-3-(benzylamino)-1-(4-fluorophenyl)propan-1-ol?
(1R)-3-(benzylamino)-1-(4-fluorophenyl)propan-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 (1R)-3-(benzylamino)-1-(4-fluorophenyl)propan-1-ol is sourced from PubChem (CID 92974372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).