2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]-N-propylacetamide

C14H21BrN2O3 — CID 43406327

IUPAC2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]-N-propylacetamide
SMILESCCCNC(=O)CNCc1cc(Br)c(OC)c(OC)c1
InChIInChI=1S/C14H21BrN2O3/c1-4-5-17-13(18)9-16-8-10-6-11(15)14(20-3)12(7-10)19-2/h6-7,16H,4-5,8-9H2,1-3H3,(H,17,18)
InChIKeyYFYXDSVXWZQBNX-UHFFFAOYSA-N
MW345.24 g/mol
LogP2.08
Rot. Bonds8

About 2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]-N-propylacetamide

2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]-N-propylacetamide (PubChem CID 43406327) has the molecular formula C14H21BrN2O3 and a molecular weight of 345.24 g/mol. Its IUPAC name is 2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]-N-propylacetamide
PubChem CID43406327
Molecular FormulaC14H21BrN2O3
Molecular Weight345.24 g/mol
Exact Mass344.07
IUPAC Name2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]-N-propylacetamide
SMILESCCCNC(=O)CNCc1cc(Br)c(OC)c(OC)c1
InChIInChI=1S/C14H21BrN2O3/c1-4-5-17-13(18)9-16-8-10-6-11(15)14(20-3)12(7-10)19-2/h6-7,16H,4-5,8-9H2,1-3H3,(H,17,18)
InChIKeyYFYXDSVXWZQBNX-UHFFFAOYSA-N
XLogP2.08
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-chloro-4,5-dimethoxyphenyl)methylamino]-N-propylacetamide
CID 43221381
2-[2-bromo-6-methoxy-4-(propylaminomethyl)phenoxy]-N-ethylacetamide
CID 43622360
2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]-1-pyrrolidin-1-ylethanone
CID 115581308
3-[2-bromo-6-methoxy-4-(propylaminomethyl)phenoxy]-N-methylpropanamide
CID 62324369
2-[(3-bromo-4-hydroxyphenyl)methylamino]-N-propylacetamide
CID 60657940
2-[2-bromo-4-(ethylaminomethyl)-6-methoxyphenoxy]-N-ethylacetamide
CID 43622324
2-[(3,5-dimethylphenyl)methylamino]-N-propylacetamide
CID 54940546
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2-butoxyethanamine
CID 61170090
2-[2-bromo-6-methoxy-4-(propylaminomethyl)phenoxy]ethanol
CID 43622374
N-[(3-bromo-5-methoxy-4-propoxyphenyl)methyl]ethanamine
CID 29227219
N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine;hydrochloride
CID 17293493
7-amino-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]heptanamide
CID 119764855

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]-N-propylacetamide?
The IUPAC name of 2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]-N-propylacetamide (CID 43406327) is 2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]-N-propylacetamide?
The canonical SMILES for 2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]-N-propylacetamide is CCCNC(=O)CNCc1cc(Br)c(OC)c(OC)c1.
What is the InChIKey of 2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]-N-propylacetamide?
The InChIKey is YFYXDSVXWZQBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O3/c1-4-5-17-13(18)9-16-8-10-6-11(15)14(20-3)12(7-10)19-2/h6-7,16H,4-5,8-9H2,1-3H3,(H,17,18).
What are the key properties of 2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]-N-propylacetamide?
2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]-N-propylacetamide has a molecular weight of 345.24 g/mol, XLogP of 2.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]-N-propylacetamide is sourced from PubChem (CID 43406327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).