2-[(2-bromo-4,5-diethoxyphenyl)methylamino]-1-phenylethanol

C19H24BrNO3 — CID 66533959

IUPAC2-[(2-bromo-4,5-diethoxyphenyl)methylamino]-1-phenylethanol
SMILESCCOc1cc(Br)c(CNCC(O)c2ccccc2)cc1OCC
InChIInChI=1S/C19H24BrNO3/c1-3-23-18-10-15(16(20)11-19(18)24-4-2)12-21-13-17(22)14-8-6-5-7-9-14/h5-11,17,21-22H,3-4,12-13H2,1-2H3
InChIKeyPQDLGYBBKLAGSW-UHFFFAOYSA-N
MW394.31 g/mol
LogP4.07
Rot. Bonds9

About 2-[(2-bromo-4,5-diethoxyphenyl)methylamino]-1-phenylethanol

2-[(2-bromo-4,5-diethoxyphenyl)methylamino]-1-phenylethanol (PubChem CID 66533959) has the molecular formula C19H24BrNO3 and a molecular weight of 394.31 g/mol. Its IUPAC name is 2-[(2-bromo-4,5-diethoxyphenyl)methylamino]-1-phenylethanol.

Molecular Properties

Compound Name2-[(2-bromo-4,5-diethoxyphenyl)methylamino]-1-phenylethanol
PubChem CID66533959
Molecular FormulaC19H24BrNO3
Molecular Weight394.31 g/mol
Exact Mass393.09
IUPAC Name2-[(2-bromo-4,5-diethoxyphenyl)methylamino]-1-phenylethanol
SMILESCCOc1cc(Br)c(CNCC(O)c2ccccc2)cc1OCC
InChIInChI=1S/C19H24BrNO3/c1-3-23-18-10-15(16(20)11-19(18)24-4-2)12-21-13-17(22)14-8-6-5-7-9-14/h5-11,17,21-22H,3-4,12-13H2,1-2H3
InChIKeyPQDLGYBBKLAGSW-UHFFFAOYSA-N
XLogP4.07
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.31
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methylamino]-1-phenylethanol
CID 66534458
2-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol
CID 4721232
2-[(3-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol
CID 4721212
2-[(3-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride
CID 17295735
2-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-1-phenylethanol
CID 66530738
2-[(2-ethoxyphenyl)methylamino]-1-(4-fluorophenyl)ethanol
CID 75875456
N-[(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine
CID 66533939
2-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-1-phenylethanol
CID 4720604
2-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-1-phenylethanol
CID 66531949
2-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylamino]ethanol
CID 66532238
N-[(2-bromo-5-ethoxy-4-propoxyphenyl)methyl]-1-phenylethanamine
CID 2949641
N-[(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)methyl]-2-methylpropan-1-amine
CID 66533835

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4,5-diethoxyphenyl)methylamino]-1-phenylethanol?
The IUPAC name of 2-[(2-bromo-4,5-diethoxyphenyl)methylamino]-1-phenylethanol (CID 66533959) is 2-[(2-bromo-4,5-diethoxyphenyl)methylamino]-1-phenylethanol.
What is the SMILES notation for 2-[(2-bromo-4,5-diethoxyphenyl)methylamino]-1-phenylethanol?
The canonical SMILES for 2-[(2-bromo-4,5-diethoxyphenyl)methylamino]-1-phenylethanol is CCOc1cc(Br)c(CNCC(O)c2ccccc2)cc1OCC.
What is the InChIKey of 2-[(2-bromo-4,5-diethoxyphenyl)methylamino]-1-phenylethanol?
The InChIKey is PQDLGYBBKLAGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrNO3/c1-3-23-18-10-15(16(20)11-19(18)24-4-2)12-21-13-17(22)14-8-6-5-7-9-14/h5-11,17,21-22H,3-4,12-13H2,1-2H3.
What are the key properties of 2-[(2-bromo-4,5-diethoxyphenyl)methylamino]-1-phenylethanol?
2-[(2-bromo-4,5-diethoxyphenyl)methylamino]-1-phenylethanol has a molecular weight of 394.31 g/mol, XLogP of 4.07, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4,5-diethoxyphenyl)methylamino]-1-phenylethanol is sourced from PubChem (CID 66533959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).