4-[4-bromo-2-[(cyclopropylamino)methyl]phenoxy]-N-methylbutanamide

C15H21BrN2O2 — CID 63890091

IUPAC4-[4-bromo-2-[(cyclopropylamino)methyl]phenoxy]-N-methylbutanamide
SMILESCNC(=O)CCCOc1ccc(Br)cc1CNC1CC1
InChIInChI=1S/C15H21BrN2O2/c1-17-15(19)3-2-8-20-14-7-4-12(16)9-11(14)10-18-13-5-6-13/h4,7,9,13,18H,2-3,5-6,8,10H2,1H3,(H,17,19)
InChIKeyDMVBNWKSNXJLNR-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.61
Rot. Bonds8

About 4-[4-bromo-2-[(cyclopropylamino)methyl]phenoxy]-N-methylbutanamide

4-[4-bromo-2-[(cyclopropylamino)methyl]phenoxy]-N-methylbutanamide (PubChem CID 63890091) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 4-[4-bromo-2-[(cyclopropylamino)methyl]phenoxy]-N-methylbutanamide.

Molecular Properties

Compound Name4-[4-bromo-2-[(cyclopropylamino)methyl]phenoxy]-N-methylbutanamide
PubChem CID63890091
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name4-[4-bromo-2-[(cyclopropylamino)methyl]phenoxy]-N-methylbutanamide
SMILESCNC(=O)CCCOc1ccc(Br)cc1CNC1CC1
InChIInChI=1S/C15H21BrN2O2/c1-17-15(19)3-2-8-20-14-7-4-12(16)9-11(14)10-18-13-5-6-13/h4,7,9,13,18H,2-3,5-6,8,10H2,1H3,(H,17,19)
InChIKeyDMVBNWKSNXJLNR-UHFFFAOYSA-N
XLogP2.61
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[4-bromo-2-[(cyclopropylamino)methyl]phenoxy]-N-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-bromo-2-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine
CID 104646884
N-[[5-bromo-2-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]cyclopropanamine
CID 103408983
3-[4-bromo-2-(methylaminomethyl)phenoxy]-N-methylpropanamide
CID 62325278
N-[[5-bromo-2-(2-butoxyethoxy)phenyl]methyl]cyclopropanamine
CID 61482948
4-[4-chloro-2-(methylaminomethyl)phenoxy]-N-methylbutanamide
CID 63890303
N-[(5-bromo-2-propoxyphenyl)methyl]-3-methylcyclopentan-1-amine
CID 114544000
2-[4-bromo-2-[(cyclopropylamino)methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 43277676
2-[4-bromo-2-[(cycloheptylamino)methyl]phenoxy]-N-tert-butylacetamide;hydrochloride
CID 17053952
2-[4-bromo-2-[(cyclopropylamino)methyl]phenoxy]acetonitrile
CID 60883120
4-[2-(1-aminoethyl)-4-bromophenoxy]-N-methylbutanamide
CID 63890948
N-[(5-bromo-2-methoxyphenyl)methyl]cycloheptanamine
CID 792004
N-[[5-bromo-2-[(2-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 43277669

Frequently Asked Questions

What is the IUPAC name of 4-[4-bromo-2-[(cyclopropylamino)methyl]phenoxy]-N-methylbutanamide?
The IUPAC name of 4-[4-bromo-2-[(cyclopropylamino)methyl]phenoxy]-N-methylbutanamide (CID 63890091) is 4-[4-bromo-2-[(cyclopropylamino)methyl]phenoxy]-N-methylbutanamide.
What is the SMILES notation for 4-[4-bromo-2-[(cyclopropylamino)methyl]phenoxy]-N-methylbutanamide?
The canonical SMILES for 4-[4-bromo-2-[(cyclopropylamino)methyl]phenoxy]-N-methylbutanamide is CNC(=O)CCCOc1ccc(Br)cc1CNC1CC1.
What is the InChIKey of 4-[4-bromo-2-[(cyclopropylamino)methyl]phenoxy]-N-methylbutanamide?
The InChIKey is DMVBNWKSNXJLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-17-15(19)3-2-8-20-14-7-4-12(16)9-11(14)10-18-13-5-6-13/h4,7,9,13,18H,2-3,5-6,8,10H2,1H3,(H,17,19).
What are the key properties of 4-[4-bromo-2-[(cyclopropylamino)methyl]phenoxy]-N-methylbutanamide?
4-[4-bromo-2-[(cyclopropylamino)methyl]phenoxy]-N-methylbutanamide has a molecular weight of 341.25 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-bromo-2-[(cyclopropylamino)methyl]phenoxy]-N-methylbutanamide is sourced from PubChem (CID 63890091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).