N-[2-(3-bromophenoxy)ethyl]-N-(3-methylbutyl)cyclopropanamine

C16H24BrNO — CID 78943956

IUPACN-[2-(3-bromophenoxy)ethyl]-N-(3-methylbutyl)cyclopropanamine
SMILESCC(C)CCN(CCOc1cccc(Br)c1)C1CC1
InChIInChI=1S/C16H24BrNO/c1-13(2)8-9-18(15-6-7-15)10-11-19-16-5-3-4-14(17)12-16/h3-5,12-13,15H,6-11H2,1-2H3
InChIKeyHCSFBSFLOPHEJC-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.34
Rot. Bonds8

About N-[2-(3-bromophenoxy)ethyl]-N-(3-methylbutyl)cyclopropanamine

N-[2-(3-bromophenoxy)ethyl]-N-(3-methylbutyl)cyclopropanamine (PubChem CID 78943956) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is N-[2-(3-bromophenoxy)ethyl]-N-(3-methylbutyl)cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3-bromophenoxy)ethyl]-N-(3-methylbutyl)cyclopropanamine
PubChem CID78943956
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC NameN-[2-(3-bromophenoxy)ethyl]-N-(3-methylbutyl)cyclopropanamine
SMILESCC(C)CCN(CCOc1cccc(Br)c1)C1CC1
InChIInChI=1S/C16H24BrNO/c1-13(2)8-9-18(15-6-7-15)10-11-19-16-5-3-4-14(17)12-16/h3-5,12-13,15H,6-11H2,1-2H3
InChIKeyHCSFBSFLOPHEJC-UHFFFAOYSA-N
XLogP4.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-[cyclopropyl(3-methylbutyl)amino]ethoxy]benzenecarbothioamide
CID 78973629
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1-[2-(3-bromophenoxy)ethyl-methylamino]propan-2-ol
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N-[2-(3-bromophenoxy)ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 63458323
2-[2-(3-bromophenoxy)ethyl-cyclopentylamino]acetic acid
CID 60834612
N-[2-(3-bromophenoxy)ethyl]-N,4-dimethylpentan-2-amine
CID 63457662
N-[2-(3-bromophenoxy)ethyl]-N'-cyclopropyl-N'-methylethane-1,2-diamine
CID 55142004
2-(3-bromophenoxy)-N-(cyclohexylmethyl)-N-methylethanamine
CID 63458650
N-[2-(4-bromophenoxy)ethyl]-N-propylcyclopropanamine
CID 54971490
1-(3-bromophenoxy)-N,5-dimethylhexan-3-amine
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CID 43270084

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenoxy)ethyl]-N-(3-methylbutyl)cyclopropanamine?
The IUPAC name of N-[2-(3-bromophenoxy)ethyl]-N-(3-methylbutyl)cyclopropanamine (CID 78943956) is N-[2-(3-bromophenoxy)ethyl]-N-(3-methylbutyl)cyclopropanamine.
What is the SMILES notation for N-[2-(3-bromophenoxy)ethyl]-N-(3-methylbutyl)cyclopropanamine?
The canonical SMILES for N-[2-(3-bromophenoxy)ethyl]-N-(3-methylbutyl)cyclopropanamine is CC(C)CCN(CCOc1cccc(Br)c1)C1CC1.
What is the InChIKey of N-[2-(3-bromophenoxy)ethyl]-N-(3-methylbutyl)cyclopropanamine?
The InChIKey is HCSFBSFLOPHEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-13(2)8-9-18(15-6-7-15)10-11-19-16-5-3-4-14(17)12-16/h3-5,12-13,15H,6-11H2,1-2H3.
What are the key properties of N-[2-(3-bromophenoxy)ethyl]-N-(3-methylbutyl)cyclopropanamine?
N-[2-(3-bromophenoxy)ethyl]-N-(3-methylbutyl)cyclopropanamine has a molecular weight of 326.28 g/mol, XLogP of 4.34, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenoxy)ethyl]-N-(3-methylbutyl)cyclopropanamine is sourced from PubChem (CID 78943956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).