(2S)-1-[[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol

C17H19BrClNO2 — CID 51997120

IUPAC(2S)-1-[[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol
SMILESC[C@H](O)CNCc1cc(Br)ccc1OCc1cccc(Cl)c1
InChIInChI=1S/C17H19BrClNO2/c1-12(21)9-20-10-14-8-15(18)5-6-17(14)22-11-13-3-2-4-16(19)7-13/h2-8,12,20-21H,9-11H2,1H3/t12-/m0/s1
InChIKeyKSSDJLWWOIXIPE-LBPRGKRZSA-N
MW384.70 g/mol
LogP4.15
Rot. Bonds7

About (2S)-1-[[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol

(2S)-1-[[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol (PubChem CID 51997120) has the molecular formula C17H19BrClNO2 and a molecular weight of 384.70 g/mol. Its IUPAC name is (2S)-1-[[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol
PubChem CID51997120
Molecular FormulaC17H19BrClNO2
Molecular Weight384.70 g/mol
Exact Mass383.03
IUPAC Name(2S)-1-[[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol
SMILESC[C@H](O)CNCc1cc(Br)ccc1OCc1cccc(Cl)c1
InChIInChI=1S/C17H19BrClNO2/c1-12(21)9-20-10-14-8-15(18)5-6-17(14)22-11-13-3-2-4-16(19)7-13/h2-8,12,20-21H,9-11H2,1H3/t12-/m0/s1
InChIKeyKSSDJLWWOIXIPE-LBPRGKRZSA-N
XLogP4.15
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.70
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-1-[[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol with MolForge

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Related Compounds

N-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 4716987
(2S)-1-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]propan-2-ol
CID 51997058
(1R)-2-[[5-bromo-2-[(3-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol
CID 51993677
(1R)-2-[(5-bromo-2-phenylmethoxyphenyl)methylamino]-1-phenylethanol
CID 27155496
(2R)-1-[(5-bromo-2-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 51996904
2-[4-bromo-2-[(2-hydroxypropylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17053771
N-[[2-[(3-chlorophenyl)methoxy]-5-fluorophenyl]methyl]propan-1-amine
CID 107695985
(2S)-1-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 29188023
3-[[4-bromo-2-(ethylaminomethyl)phenoxy]methyl]benzonitrile
CID 60882737
2-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol;hydrochloride
CID 17295139
4-bromo-2-[(3-chlorophenyl)methoxy]-1-methylbenzene
CID 107284184
N-[[2-[(3-chlorophenyl)methoxy]-5-methylphenyl]methyl]propan-1-amine
CID 63485880

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol?
The IUPAC name of (2S)-1-[[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol (CID 51997120) is (2S)-1-[[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol.
What is the SMILES notation for (2S)-1-[[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol?
The canonical SMILES for (2S)-1-[[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol is C[C@H](O)CNCc1cc(Br)ccc1OCc1cccc(Cl)c1.
What is the InChIKey of (2S)-1-[[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol?
The InChIKey is KSSDJLWWOIXIPE-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19BrClNO2/c1-12(21)9-20-10-14-8-15(18)5-6-17(14)22-11-13-3-2-4-16(19)7-13/h2-8,12,20-21H,9-11H2,1H3/t12-/m0/s1.
What are the key properties of (2S)-1-[[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol?
(2S)-1-[[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol has a molecular weight of 384.70 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol is sourced from PubChem (CID 51997120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).