(2R)-2-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol

C18H22FNO2 — CID 40727318

IUPAC(2R)-2-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol
SMILESCC[C@H](CO)NCc1ccccc1OCc1ccccc1F
InChIInChI=1S/C18H22FNO2/c1-2-16(12-21)20-11-14-7-4-6-10-18(14)22-13-15-8-3-5-9-17(15)19/h3-10,16,20-21H,2,11-13H2,1H3/t16-/m1/s1
InChIKeyFLBPBBLGPXHSPS-MRXNPFEDSA-N
MW303.38 g/mol
LogP3.27
Rot. Bonds8

About (2R)-2-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol

(2R)-2-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol (PubChem CID 40727318) has the molecular formula C18H22FNO2 and a molecular weight of 303.38 g/mol. Its IUPAC name is (2R)-2-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol
PubChem CID40727318
Molecular FormulaC18H22FNO2
Molecular Weight303.38 g/mol
Exact Mass303.16
IUPAC Name(2R)-2-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol
SMILESCC[C@H](CO)NCc1ccccc1OCc1ccccc1F
InChIInChI=1S/C18H22FNO2/c1-2-16(12-21)20-11-14-7-4-6-10-18(14)22-13-15-8-3-5-9-17(15)19/h3-10,16,20-21H,2,11-13H2,1H3/t16-/m1/s1
InChIKeyFLBPBBLGPXHSPS-MRXNPFEDSA-N
XLogP3.27
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol with MolForge

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Related Compounds

(2R)-2-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 40727200
(2R)-2-[(2,3-difluorophenyl)methylamino]butan-1-ol
CID 93043909
(2R)-2-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 40726832
2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol chloride
CID 53351262
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine
CID 17155781
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]butan-1-amine
CID 4722045
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine;hydrochloride
CID 17155780
2-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]phenol
CID 15278079
(2S)-2-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 40726356
N-ethyl-N'-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]propane-1,3-diamine;dihydrochloride
CID 17215455
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 4720382
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]butan-2-amine
CID 4717120

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol?
The IUPAC name of (2R)-2-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol (CID 40727318) is (2R)-2-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol.
What is the SMILES notation for (2R)-2-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol?
The canonical SMILES for (2R)-2-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol is CC[C@H](CO)NCc1ccccc1OCc1ccccc1F.
What is the InChIKey of (2R)-2-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol?
The InChIKey is FLBPBBLGPXHSPS-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H22FNO2/c1-2-16(12-21)20-11-14-7-4-6-10-18(14)22-13-15-8-3-5-9-17(15)19/h3-10,16,20-21H,2,11-13H2,1H3/t16-/m1/s1.
What are the key properties of (2R)-2-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol?
(2R)-2-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol has a molecular weight of 303.38 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol is sourced from PubChem (CID 40727318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).