N-[2-(3-bromophenyl)-2-cyclobutyloxyethyl]cyclopropanamine

C15H20BrNO — CID 62382196

IUPACN-[2-(3-bromophenyl)-2-cyclobutyloxyethyl]cyclopropanamine
SMILESBrc1cccc(C(CNC2CC2)OC2CCC2)c1
InChIInChI=1S/C15H20BrNO/c16-12-4-1-3-11(9-12)15(10-17-13-7-8-13)18-14-5-2-6-14/h1,3-4,9,13-15,17H,2,5-8,10H2
InChIKeyYPGBYRANUUUFOF-UHFFFAOYSA-N
MW310.23 g/mol
LogP3.81
Rot. Bonds6

About N-[2-(3-bromophenyl)-2-cyclobutyloxyethyl]cyclopropanamine

N-[2-(3-bromophenyl)-2-cyclobutyloxyethyl]cyclopropanamine (PubChem CID 62382196) has the molecular formula C15H20BrNO and a molecular weight of 310.23 g/mol. Its IUPAC name is N-[2-(3-bromophenyl)-2-cyclobutyloxyethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3-bromophenyl)-2-cyclobutyloxyethyl]cyclopropanamine
PubChem CID62382196
Molecular FormulaC15H20BrNO
Molecular Weight310.23 g/mol
Exact Mass309.07
IUPAC NameN-[2-(3-bromophenyl)-2-cyclobutyloxyethyl]cyclopropanamine
SMILESBrc1cccc(C(CNC2CC2)OC2CCC2)c1
InChIInChI=1S/C15H20BrNO/c16-12-4-1-3-11(9-12)15(10-17-13-7-8-13)18-14-5-2-6-14/h1,3-4,9,13-15,17H,2,5-8,10H2
InChIKeyYPGBYRANUUUFOF-UHFFFAOYSA-N
XLogP3.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(3-bromophenyl)-2-cyclobutyloxyethyl]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-[2-(3-bromophenyl)-2-(cyclopropylmethoxy)ethyl]cyclopropanamine
CID 62108746
N-[2-(4-bromophenyl)-2-cyclopentyloxyethyl]cyclopropanamine
CID 62105937
1-bromo-3-(2-bromo-1-cyclohexyloxyethyl)benzene
CID 63468801
1-bromo-3-(2-bromo-1-cyclopropyloxyethyl)benzene
CID 165495012
2-(3-bromophenyl)-3-(cyclopropylamino)propan-1-ol
CID 117242819
1-bromo-3-[2-iodo-1-(3-methoxycyclohexyl)oxyethyl]benzene
CID 114774280
2-cyclobutyloxy-2-(3-fluorophenyl)-N-methylethanamine
CID 62383123
N-[2-(3-bromophenyl)-5-methylhexyl]cyclopropanamine
CID 79443132
N-[2-(3-bromophenyl)-6-methoxyhexyl]cyclopropanamine
CID 104649495
1-[1-(3-bromophenyl)-2-(cyclohexylamino)ethyl]cyclohexan-1-ol;hydrochloride
CID 11596858
1-(3-bromophenyl)-2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]ethanol
CID 65470485
2-cyclobutyloxy-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 62383124

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenyl)-2-cyclobutyloxyethyl]cyclopropanamine?
The IUPAC name of N-[2-(3-bromophenyl)-2-cyclobutyloxyethyl]cyclopropanamine (CID 62382196) is N-[2-(3-bromophenyl)-2-cyclobutyloxyethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(3-bromophenyl)-2-cyclobutyloxyethyl]cyclopropanamine?
The canonical SMILES for N-[2-(3-bromophenyl)-2-cyclobutyloxyethyl]cyclopropanamine is Brc1cccc(C(CNC2CC2)OC2CCC2)c1.
What is the InChIKey of N-[2-(3-bromophenyl)-2-cyclobutyloxyethyl]cyclopropanamine?
The InChIKey is YPGBYRANUUUFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c16-12-4-1-3-11(9-12)15(10-17-13-7-8-13)18-14-5-2-6-14/h1,3-4,9,13-15,17H,2,5-8,10H2.
What are the key properties of N-[2-(3-bromophenyl)-2-cyclobutyloxyethyl]cyclopropanamine?
N-[2-(3-bromophenyl)-2-cyclobutyloxyethyl]cyclopropanamine has a molecular weight of 310.23 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenyl)-2-cyclobutyloxyethyl]cyclopropanamine is sourced from PubChem (CID 62382196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).