N-[2-(4-bromophenoxy)ethyl]-N-(2-chloroethyl)cyclopropanamine

C13H17BrClNO — CID 55182790

IUPACN-[2-(4-bromophenoxy)ethyl]-N-(2-chloroethyl)cyclopropanamine
SMILESClCCN(CCOc1ccc(Br)cc1)C1CC1
InChIInChI=1S/C13H17BrClNO/c14-11-1-5-13(6-2-11)17-10-9-16(8-7-15)12-3-4-12/h1-2,5-6,12H,3-4,7-10H2
InChIKeyFHRSTWJEUYEZBM-UHFFFAOYSA-N
MW318.64 g/mol
LogP3.53
Rot. Bonds7

About N-[2-(4-bromophenoxy)ethyl]-N-(2-chloroethyl)cyclopropanamine

N-[2-(4-bromophenoxy)ethyl]-N-(2-chloroethyl)cyclopropanamine (PubChem CID 55182790) has the molecular formula C13H17BrClNO and a molecular weight of 318.64 g/mol. Its IUPAC name is N-[2-(4-bromophenoxy)ethyl]-N-(2-chloroethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[2-(4-bromophenoxy)ethyl]-N-(2-chloroethyl)cyclopropanamine
PubChem CID55182790
Molecular FormulaC13H17BrClNO
Molecular Weight318.64 g/mol
Exact Mass317.02
IUPAC NameN-[2-(4-bromophenoxy)ethyl]-N-(2-chloroethyl)cyclopropanamine
SMILESClCCN(CCOc1ccc(Br)cc1)C1CC1
InChIInChI=1S/C13H17BrClNO/c14-11-1-5-13(6-2-11)17-10-9-16(8-7-15)12-3-4-12/h1-2,5-6,12H,3-4,7-10H2
InChIKeyFHRSTWJEUYEZBM-UHFFFAOYSA-N
XLogP3.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.64
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-bromophenoxy)ethyl]-N-propylcyclopropanamine
CID 54971490
2-(4-bromophenoxy)-N-(2-chloroethyl)-N-methylethanamine
CID 63386918
N-[2-(4-bromophenoxy)ethyl]-N-methylcyclobutanamine
CID 115666053
2-[2-(4-chlorophenoxy)ethyl-cyclopentylamino]ethanol
CID 60911429
N-[3-(4-bromophenoxy)propyl]-N-methylcyclohexanamine
CID 5262176
2-[cyclopentyl-[2-(4-ethoxyphenoxy)ethyl]amino]ethanol
CID 62016041
2-[2-(4-aminophenoxy)ethyl-cyclopentylamino]ethanol
CID 54993366
2-[2-(4-chlorophenoxy)ethyl-cyclopropylamino]acetic acid
CID 54945677
N-[2-(3-bromophenoxy)ethyl]-N-(3-methylbutyl)cyclopropanamine
CID 78943956
4-(4-bromophenoxy)-N-cyclopropyl-N-(2-hydroxyethyl)butanamide
CID 43576564
3-[2-[4-(aminomethyl)phenoxy]ethyl-cyclobutylamino]propan-1-ol
CID 102860586
3-(4-bromophenoxy)-N-cyclobutyl-N-(2-hydroxyethyl)propanamide
CID 102684243

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenoxy)ethyl]-N-(2-chloroethyl)cyclopropanamine?
The IUPAC name of N-[2-(4-bromophenoxy)ethyl]-N-(2-chloroethyl)cyclopropanamine (CID 55182790) is N-[2-(4-bromophenoxy)ethyl]-N-(2-chloroethyl)cyclopropanamine.
What is the SMILES notation for N-[2-(4-bromophenoxy)ethyl]-N-(2-chloroethyl)cyclopropanamine?
The canonical SMILES for N-[2-(4-bromophenoxy)ethyl]-N-(2-chloroethyl)cyclopropanamine is ClCCN(CCOc1ccc(Br)cc1)C1CC1.
What is the InChIKey of N-[2-(4-bromophenoxy)ethyl]-N-(2-chloroethyl)cyclopropanamine?
The InChIKey is FHRSTWJEUYEZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNO/c14-11-1-5-13(6-2-11)17-10-9-16(8-7-15)12-3-4-12/h1-2,5-6,12H,3-4,7-10H2.
What are the key properties of N-[2-(4-bromophenoxy)ethyl]-N-(2-chloroethyl)cyclopropanamine?
N-[2-(4-bromophenoxy)ethyl]-N-(2-chloroethyl)cyclopropanamine has a molecular weight of 318.64 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenoxy)ethyl]-N-(2-chloroethyl)cyclopropanamine is sourced from PubChem (CID 55182790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).