N-[2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]ethyl]cyclopropanecarboxamide

C15H21BrN2O3 — CID 115572147

IUPACN-[2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]ethyl]cyclopropanecarboxamide
SMILESCOc1cc(Br)c(CNCCNC(=O)C2CC2)cc1OC
InChIInChI=1S/C15H21BrN2O3/c1-20-13-7-11(12(16)8-14(13)21-2)9-17-5-6-18-15(19)10-3-4-10/h7-8,10,17H,3-6,9H2,1-2H3,(H,18,19)
InChIKeyGFZRZUVLOCVFJW-UHFFFAOYSA-N
MW357.25 g/mol
LogP2.08
Rot. Bonds8

About N-[2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]ethyl]cyclopropanecarboxamide

N-[2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]ethyl]cyclopropanecarboxamide (PubChem CID 115572147) has the molecular formula C15H21BrN2O3 and a molecular weight of 357.25 g/mol. Its IUPAC name is N-[2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]ethyl]cyclopropanecarboxamide
PubChem CID115572147
Molecular FormulaC15H21BrN2O3
Molecular Weight357.25 g/mol
Exact Mass356.07
IUPAC NameN-[2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]ethyl]cyclopropanecarboxamide
SMILESCOc1cc(Br)c(CNCCNC(=O)C2CC2)cc1OC
InChIInChI=1S/C15H21BrN2O3/c1-20-13-7-11(12(16)8-14(13)21-2)9-17-5-6-18-15(19)10-3-4-10/h7-8,10,17H,3-6,9H2,1-2H3,(H,18,19)
InChIKeyGFZRZUVLOCVFJW-UHFFFAOYSA-N
XLogP2.08
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(3,5-dibromo-2-methoxyphenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 47112268
2-[2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]ethylamino]ethanol
CID 66538635
(2S,4S)-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120630600
N-[2-[(3,5-dimethoxyphenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 47112234
N-[2-[(4-bromo-2-chlorophenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 115598225
N-[2-[(2-chloro-6-methoxyphenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 115634738
(2R,5R)-5-[[(2-bromo-4,5-dimethoxyphenyl)methylamino]methyl]oxolane-2-carboxamide
CID 97225739
(2R,5S)-5-[[(2-bromo-4,5-dimethoxyphenyl)methylamino]methyl]oxolane-2-carboxamide
CID 97225738
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 43225544
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 119316734
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-methylsulfonylethanamine
CID 47267472
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3-methylbutan-1-amine
CID 43220432

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]ethyl]cyclopropanecarboxamide (CID 115572147) is N-[2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]ethyl]cyclopropanecarboxamide is COc1cc(Br)c(CNCCNC(=O)C2CC2)cc1OC.
What is the InChIKey of N-[2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]ethyl]cyclopropanecarboxamide?
The InChIKey is GFZRZUVLOCVFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O3/c1-20-13-7-11(12(16)8-14(13)21-2)9-17-5-6-18-15(19)10-3-4-10/h7-8,10,17H,3-6,9H2,1-2H3,(H,18,19).
What are the key properties of N-[2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]ethyl]cyclopropanecarboxamide?
N-[2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]ethyl]cyclopropanecarboxamide has a molecular weight of 357.25 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 N-[2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 115572147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).