(2R)-2-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol

C18H21BrFNO2 — CID 40727200

IUPAC(2R)-2-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol
SMILESCC[C@H](CO)NCc1cc(Br)ccc1OCc1ccccc1F
InChIInChI=1S/C18H21BrFNO2/c1-2-16(11-22)21-10-14-9-15(19)7-8-18(14)23-12-13-5-3-4-6-17(13)20/h3-9,16,21-22H,2,10-12H2,1H3/t16-/m1/s1
InChIKeyCCGNRIHWAYNSSU-MRXNPFEDSA-N
MW382.27 g/mol
LogP4.03
Rot. Bonds8

About (2R)-2-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol

(2R)-2-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol (PubChem CID 40727200) has the molecular formula C18H21BrFNO2 and a molecular weight of 382.27 g/mol. Its IUPAC name is (2R)-2-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol
PubChem CID40727200
Molecular FormulaC18H21BrFNO2
Molecular Weight382.27 g/mol
Exact Mass381.07
IUPAC Name(2R)-2-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol
SMILESCC[C@H](CO)NCc1cc(Br)ccc1OCc1ccccc1F
InChIInChI=1S/C18H21BrFNO2/c1-2-16(11-22)21-10-14-9-15(19)7-8-18(14)23-12-13-5-3-4-6-17(13)20/h3-9,16,21-22H,2,10-12H2,1H3/t16-/m1/s1
InChIKeyCCGNRIHWAYNSSU-MRXNPFEDSA-N
XLogP4.03
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.27
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol with MolForge

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Related Compounds

(2R)-2-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 40727318
(2S)-2-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 40726356
N-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl]butan-2-amine;hydrochloride
CID 17291425
(2R)-2-[[5-bromo-2-[(2,6-dichlorophenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 51993805
(1S)-N-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 40761545
2-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]-3-methylbutanoic acid
CID 66527653
2-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]-4-methylpentanoic acid
CID 66527664
(2S)-2-[(5-bromo-2-prop-2-ynoxyphenyl)methylamino]butan-1-ol
CID 104980972
N-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-(2-fluorophenyl)ethanamine
CID 4718565
N-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl]octan-1-amine
CID 4722755
N-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-3-methylbutan-1-amine;hydrochloride
CID 17210488
2-[2-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol
CID 17155250

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol?
The IUPAC name of (2R)-2-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol (CID 40727200) is (2R)-2-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol.
What is the SMILES notation for (2R)-2-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol?
The canonical SMILES for (2R)-2-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol is CC[C@H](CO)NCc1cc(Br)ccc1OCc1ccccc1F.
What is the InChIKey of (2R)-2-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol?
The InChIKey is CCGNRIHWAYNSSU-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H21BrFNO2/c1-2-16(11-22)21-10-14-9-15(19)7-8-18(14)23-12-13-5-3-4-6-17(13)20/h3-9,16,21-22H,2,10-12H2,1H3/t16-/m1/s1.
What are the key properties of (2R)-2-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol?
(2R)-2-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol has a molecular weight of 382.27 g/mol, XLogP of 4.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol is sourced from PubChem (CID 40727200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).