N-[2-(5-bromo-2-methylphenoxy)pentyl]cyclopropanamine

C15H22BrNO — CID 107285996

IUPACN-[2-(5-bromo-2-methylphenoxy)pentyl]cyclopropanamine
SMILESCCCC(CNC1CC1)Oc1cc(Br)ccc1C
InChIInChI=1S/C15H22BrNO/c1-3-4-14(10-17-13-7-8-13)18-15-9-12(16)6-5-11(15)2/h5-6,9,13-14,17H,3-4,7-8,10H2,1-2H3
InChIKeyPYVAENDSHAFVEN-UHFFFAOYSA-N
MW312.25 g/mol
LogP4.06
Rot. Bonds7

About N-[2-(5-bromo-2-methylphenoxy)pentyl]cyclopropanamine

N-[2-(5-bromo-2-methylphenoxy)pentyl]cyclopropanamine (PubChem CID 107285996) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is N-[2-(5-bromo-2-methylphenoxy)pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(5-bromo-2-methylphenoxy)pentyl]cyclopropanamine
PubChem CID107285996
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC NameN-[2-(5-bromo-2-methylphenoxy)pentyl]cyclopropanamine
SMILESCCCC(CNC1CC1)Oc1cc(Br)ccc1C
InChIInChI=1S/C15H22BrNO/c1-3-4-14(10-17-13-7-8-13)18-15-9-12(16)6-5-11(15)2/h5-6,9,13-14,17H,3-4,7-8,10H2,1-2H3
InChIKeyPYVAENDSHAFVEN-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(5-bromo-2-methylphenoxy)pentyl]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-(5-chloro-2-methylphenoxy)pentyl]cyclopropanamine
CID 83045481
N-[2-(4-bromo-2-methylphenoxy)butyl]cyclopropanamine
CID 63216643
2-(5-bromo-2-methylphenoxy)pentan-1-amine
CID 107286173
N-[2-(2,3,5-trimethylphenoxy)pentyl]cyclopropanamine
CID 83044881
N-[2-(5-bromo-2-fluorophenoxy)butyl]cyclopropanamine
CID 114676931
2-(5-bromo-2-methylphenoxy)-N-ethylbutan-1-amine
CID 107286034
2-(5-bromo-2-methylphenoxy)-N-propan-2-ylbutan-1-amine
CID 107286035
2-(5-bromo-2-methylphenoxy)-N-tert-butylbutan-1-amine
CID 107285816
2-(5-bromo-2-fluorophenoxy)-N-methylpentan-1-amine
CID 114676924
N-[2-[(6-methyl-3-pyridinyl)oxy]pentyl]cyclopropanamine
CID 83044254
N-[2-(3-fluorophenoxy)pentyl]cyclopropanamine
CID 83043805
N-[2-(3-bromophenoxy)butyl]cyclopropanamine
CID 62460625

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromo-2-methylphenoxy)pentyl]cyclopropanamine?
The IUPAC name of N-[2-(5-bromo-2-methylphenoxy)pentyl]cyclopropanamine (CID 107285996) is N-[2-(5-bromo-2-methylphenoxy)pentyl]cyclopropanamine.
What is the SMILES notation for N-[2-(5-bromo-2-methylphenoxy)pentyl]cyclopropanamine?
The canonical SMILES for N-[2-(5-bromo-2-methylphenoxy)pentyl]cyclopropanamine is CCCC(CNC1CC1)Oc1cc(Br)ccc1C.
What is the InChIKey of N-[2-(5-bromo-2-methylphenoxy)pentyl]cyclopropanamine?
The InChIKey is PYVAENDSHAFVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-3-4-14(10-17-13-7-8-13)18-15-9-12(16)6-5-11(15)2/h5-6,9,13-14,17H,3-4,7-8,10H2,1-2H3.
What are the key properties of N-[2-(5-bromo-2-methylphenoxy)pentyl]cyclopropanamine?
N-[2-(5-bromo-2-methylphenoxy)pentyl]cyclopropanamine has a molecular weight of 312.25 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromo-2-methylphenoxy)pentyl]cyclopropanamine is sourced from PubChem (CID 107285996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).