N-[2-(4-bromo-2-methylphenoxy)butyl]cyclopropanamine

C14H20BrNO — CID 63216643

IUPACN-[2-(4-bromo-2-methylphenoxy)butyl]cyclopropanamine
SMILESCCC(CNC1CC1)Oc1ccc(Br)cc1C
InChIInChI=1S/C14H20BrNO/c1-3-13(9-16-12-5-6-12)17-14-7-4-11(15)8-10(14)2/h4,7-8,12-13,16H,3,5-6,9H2,1-2H3
InChIKeyZLPDLEMTZMWXMV-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.67
Rot. Bonds6

About N-[2-(4-bromo-2-methylphenoxy)butyl]cyclopropanamine

N-[2-(4-bromo-2-methylphenoxy)butyl]cyclopropanamine (PubChem CID 63216643) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is N-[2-(4-bromo-2-methylphenoxy)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(4-bromo-2-methylphenoxy)butyl]cyclopropanamine
PubChem CID63216643
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC NameN-[2-(4-bromo-2-methylphenoxy)butyl]cyclopropanamine
SMILESCCC(CNC1CC1)Oc1ccc(Br)cc1C
InChIInChI=1S/C14H20BrNO/c1-3-13(9-16-12-5-6-12)17-14-7-4-11(15)8-10(14)2/h4,7-8,12-13,16H,3,5-6,9H2,1-2H3
InChIKeyZLPDLEMTZMWXMV-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-bromo-2-fluorophenoxy)butyl]cyclopropanamine
CID 114676931
N-[2-(5-bromo-2-methylphenoxy)pentyl]cyclopropanamine
CID 107285996
N-[2-(2-chloro-4-methylphenoxy)butyl]cyclopropanamine
CID 62672229
N-[2-(4-bromo-2-methylphenoxy)-2-phenylethyl]cyclopropanamine
CID 63497564
N-[2-(3-bromophenoxy)butyl]cyclopropanamine
CID 62460625
N-[2-(4-chloro-2,6-dimethylphenoxy)butyl]cyclopropanamine
CID 62451103
N-[2-(2-tert-butyl-4-ethylphenoxy)butyl]cyclopropanamine
CID 63491138
2-(5-bromo-2-methylphenoxy)-N-ethylbutan-1-amine
CID 107286034
2-(5-bromo-2-methylphenoxy)-N-propan-2-ylbutan-1-amine
CID 107286035
N-[2-(4-chlorophenoxy)butyl]cyclopropanamine
CID 62454944
2-(5-bromo-2-methylphenoxy)-N-tert-butylbutan-1-amine
CID 107285816
N-[2-(4-tert-butylphenoxy)butyl]cyclopropanamine
CID 62454910

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-2-methylphenoxy)butyl]cyclopropanamine?
The IUPAC name of N-[2-(4-bromo-2-methylphenoxy)butyl]cyclopropanamine (CID 63216643) is N-[2-(4-bromo-2-methylphenoxy)butyl]cyclopropanamine.
What is the SMILES notation for N-[2-(4-bromo-2-methylphenoxy)butyl]cyclopropanamine?
The canonical SMILES for N-[2-(4-bromo-2-methylphenoxy)butyl]cyclopropanamine is CCC(CNC1CC1)Oc1ccc(Br)cc1C.
What is the InChIKey of N-[2-(4-bromo-2-methylphenoxy)butyl]cyclopropanamine?
The InChIKey is ZLPDLEMTZMWXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-3-13(9-16-12-5-6-12)17-14-7-4-11(15)8-10(14)2/h4,7-8,12-13,16H,3,5-6,9H2,1-2H3.
What are the key properties of N-[2-(4-bromo-2-methylphenoxy)butyl]cyclopropanamine?
N-[2-(4-bromo-2-methylphenoxy)butyl]cyclopropanamine has a molecular weight of 298.22 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-2-methylphenoxy)butyl]cyclopropanamine is sourced from PubChem (CID 63216643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).