N-[[5-bromo-2-(2-butoxyethoxy)phenyl]methyl]cyclopropanamine

C16H24BrNO2 — CID 61482948

IUPACN-[[5-bromo-2-(2-butoxyethoxy)phenyl]methyl]cyclopropanamine
SMILESCCCCOCCOc1ccc(Br)cc1CNC1CC1
InChIInChI=1S/C16H24BrNO2/c1-2-3-8-19-9-10-20-16-7-4-14(17)11-13(16)12-18-15-5-6-15/h4,7,11,15,18H,2-3,5-6,8-10,12H2,1H3
InChIKeyNNWTVFWAWYGJNA-UHFFFAOYSA-N
MW342.28 g/mol
LogP3.90
Rot. Bonds10

About N-[[5-bromo-2-(2-butoxyethoxy)phenyl]methyl]cyclopropanamine

N-[[5-bromo-2-(2-butoxyethoxy)phenyl]methyl]cyclopropanamine (PubChem CID 61482948) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is N-[[5-bromo-2-(2-butoxyethoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-bromo-2-(2-butoxyethoxy)phenyl]methyl]cyclopropanamine
PubChem CID61482948
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC NameN-[[5-bromo-2-(2-butoxyethoxy)phenyl]methyl]cyclopropanamine
SMILESCCCCOCCOc1ccc(Br)cc1CNC1CC1
InChIInChI=1S/C16H24BrNO2/c1-2-3-8-19-9-10-20-16-7-4-14(17)11-13(16)12-18-15-5-6-15/h4,7,11,15,18H,2-3,5-6,8-10,12H2,1H3
InChIKeyNNWTVFWAWYGJNA-UHFFFAOYSA-N
XLogP3.90
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[5-bromo-2-(2-butoxyethoxy)phenyl]methyl]cyclopropanamine 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-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]cyclopropanamine
CID 103408983
N-[[5-bromo-2-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine
CID 104646884
N-[(5-bromo-2-propoxyphenyl)methyl]-3-methylcyclopentan-1-amine
CID 114544000
N-[(5-bromo-2-propoxyphenyl)methyl]-3-methoxycyclopentan-1-amine
CID 103081811
4-[4-bromo-2-[(cyclopropylamino)methyl]phenoxy]-N-methylbutanamide
CID 63890091
N-[[5-chloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 103177541
N-[(5-bromo-2-butoxyphenyl)methyl]propan-1-amine
CID 43277546
N-[(2-butoxy-5-nitrophenyl)methyl]cyclopropanamine
CID 43472781
N-[[5-bromo-2-(2-propoxyethoxy)phenyl]methyl]propan-1-amine
CID 106449718
2-[4-bromo-2-[(cyclopropylamino)methyl]phenoxy]acetonitrile
CID 60883120
N-[(5-bromo-2-methoxyphenyl)methyl]cycloheptanamine
CID 792004
N-[(5-methyl-2-propoxyphenyl)methyl]cyclopropanamine
CID 63326809

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-(2-butoxyethoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-bromo-2-(2-butoxyethoxy)phenyl]methyl]cyclopropanamine (CID 61482948) is N-[[5-bromo-2-(2-butoxyethoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-bromo-2-(2-butoxyethoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-bromo-2-(2-butoxyethoxy)phenyl]methyl]cyclopropanamine is CCCCOCCOc1ccc(Br)cc1CNC1CC1.
What is the InChIKey of N-[[5-bromo-2-(2-butoxyethoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is NNWTVFWAWYGJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2/c1-2-3-8-19-9-10-20-16-7-4-14(17)11-13(16)12-18-15-5-6-15/h4,7,11,15,18H,2-3,5-6,8-10,12H2,1H3.
What are the key properties of N-[[5-bromo-2-(2-butoxyethoxy)phenyl]methyl]cyclopropanamine?
N-[[5-bromo-2-(2-butoxyethoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 342.28 g/mol, XLogP of 3.90, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-(2-butoxyethoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 61482948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).