2-[2-bromo-6-methoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide

C18H21BrN2O3 — CID 1017380

IUPAC2-[2-bromo-6-methoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide
SMILESCOc1cc(CN[C@H](C)c2ccccc2)cc(Br)c1OCC(N)=O
InChIInChI=1S/C18H21BrN2O3/c1-12(14-6-4-3-5-7-14)21-10-13-8-15(19)18(16(9-13)23-2)24-11-17(20)22/h3-9,12,21H,10-11H2,1-2H3,(H2,20,22)/t12-/m1/s1
InChIKeyIMGMBCCOKVGZLZ-GFCCVEGCSA-N
MW393.28 g/mol
LogP3.17
Rot. Bonds8

About 2-[2-bromo-6-methoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide

2-[2-bromo-6-methoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide (PubChem CID 1017380) has the molecular formula C18H21BrN2O3 and a molecular weight of 393.28 g/mol. Its IUPAC name is 2-[2-bromo-6-methoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-bromo-6-methoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide
PubChem CID1017380
Molecular FormulaC18H21BrN2O3
Molecular Weight393.28 g/mol
Exact Mass392.07
IUPAC Name2-[2-bromo-6-methoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide
SMILESCOc1cc(CN[C@H](C)c2ccccc2)cc(Br)c1OCC(N)=O
InChIInChI=1S/C18H21BrN2O3/c1-12(14-6-4-3-5-7-14)21-10-13-8-15(19)18(16(9-13)23-2)24-11-17(20)22/h3-9,12,21H,10-11H2,1-2H3,(H2,20,22)/t12-/m1/s1
InChIKeyIMGMBCCOKVGZLZ-GFCCVEGCSA-N
XLogP3.17
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.28
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide
CID 7384832
(1S)-N-[(3-bromo-5-methoxy-4-propoxyphenyl)methyl]-1-phenylethanamine
CID 29227157
(1S)-N-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl]-1-phenylethanamine
CID 2217269
2-[2-bromo-6-ethoxy-4-[(1-phenylbutylamino)methyl]phenoxy]acetamide
CID 17155901
(1R)-N-[(3-bromo-5-ethoxy-4-methoxyphenyl)methyl]-1-phenylethanamine
CID 2238336
N-[(3-bromo-4,5-diethoxyphenyl)methyl]-1-phenylethanamine;hydrochloride
CID 17291995
(1R)-N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-1-(4-bromophenyl)ethanamine
CID 30620804
2-[2-bromo-6-ethoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 51994675
N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 78894013
2-[2-chloro-6-methoxy-4-[[[(1S)-1-phenylethyl]amino]methyl]phenoxy]-N-phenylacetamide
CID 2217368
3-[[4-(2-amino-2-oxoethoxy)-3-bromo-5-methoxyphenyl]methylamino]-2-methylbenzoic acid
CID 17059391
2,6-dimethoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenol
CID 7154257

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-6-methoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide?
The IUPAC name of 2-[2-bromo-6-methoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide (CID 1017380) is 2-[2-bromo-6-methoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-bromo-6-methoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide?
The canonical SMILES for 2-[2-bromo-6-methoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide is COc1cc(CN[C@H](C)c2ccccc2)cc(Br)c1OCC(N)=O.
What is the InChIKey of 2-[2-bromo-6-methoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide?
The InChIKey is IMGMBCCOKVGZLZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H21BrN2O3/c1-12(14-6-4-3-5-7-14)21-10-13-8-15(19)18(16(9-13)23-2)24-11-17(20)22/h3-9,12,21H,10-11H2,1-2H3,(H2,20,22)/t12-/m1/s1.
What are the key properties of 2-[2-bromo-6-methoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide?
2-[2-bromo-6-methoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide has a molecular weight of 393.28 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-6-methoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide is sourced from PubChem (CID 1017380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).