N-[2-(4-bromophenoxy)ethyl]-N-propylcyclopropanamine

C14H20BrNO — CID 54971490

IUPACN-[2-(4-bromophenoxy)ethyl]-N-propylcyclopropanamine
SMILESCCCN(CCOc1ccc(Br)cc1)C1CC1
InChIInChI=1S/C14H20BrNO/c1-2-9-16(13-5-6-13)10-11-17-14-7-3-12(15)4-8-14/h3-4,7-8,13H,2,5-6,9-11H2,1H3
InChIKeyVFIBVQVYPLWEQT-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.70
Rot. Bonds7

About N-[2-(4-bromophenoxy)ethyl]-N-propylcyclopropanamine

N-[2-(4-bromophenoxy)ethyl]-N-propylcyclopropanamine (PubChem CID 54971490) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is N-[2-(4-bromophenoxy)ethyl]-N-propylcyclopropanamine.

Molecular Properties

Compound NameN-[2-(4-bromophenoxy)ethyl]-N-propylcyclopropanamine
PubChem CID54971490
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC NameN-[2-(4-bromophenoxy)ethyl]-N-propylcyclopropanamine
SMILESCCCN(CCOc1ccc(Br)cc1)C1CC1
InChIInChI=1S/C14H20BrNO/c1-2-9-16(13-5-6-13)10-11-17-14-7-3-12(15)4-8-14/h3-4,7-8,13H,2,5-6,9-11H2,1H3
InChIKeyVFIBVQVYPLWEQT-UHFFFAOYSA-N
XLogP3.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-bromophenoxy)ethyl]-N-(2-chloroethyl)cyclopropanamine
CID 55182790
N-[2-(4-bromophenoxy)ethyl]-N-methylcyclobutanamine
CID 115666053
N-[2-(4-fluorophenoxy)ethyl]-N-propylpiperidin-4-amine;hydrochloride
CID 119932771
N-(2-phenoxyethyl)-N-propylpiperidin-4-amine
CID 60807688
N-[3-[4-(aminomethyl)phenoxy]propyl]-N-propylcyclopropanamine
CID 43270088
4-[2-[butyl(cyclopropyl)amino]ethoxy]benzoic acid
CID 61441620
N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-propylcyclopropanamine
CID 43270084
3-(4-bromophenoxy)-N,N-dipropylpropan-1-amine
CID 5262100
N-[2-(4-bromophenoxy)ethyl]-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79704955
1-(4-bromophenyl)-N'-cyclopropyl-N'-propylpropane-1,3-diamine
CID 62617872
2-[cyclopentyl-[2-(4-ethoxyphenoxy)ethyl]amino]ethanol
CID 62016041
N-[3-(4-bromophenoxy)propyl]-N-methylcyclohexanamine
CID 5262176

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenoxy)ethyl]-N-propylcyclopropanamine?
The IUPAC name of N-[2-(4-bromophenoxy)ethyl]-N-propylcyclopropanamine (CID 54971490) is N-[2-(4-bromophenoxy)ethyl]-N-propylcyclopropanamine.
What is the SMILES notation for N-[2-(4-bromophenoxy)ethyl]-N-propylcyclopropanamine?
The canonical SMILES for N-[2-(4-bromophenoxy)ethyl]-N-propylcyclopropanamine is CCCN(CCOc1ccc(Br)cc1)C1CC1.
What is the InChIKey of N-[2-(4-bromophenoxy)ethyl]-N-propylcyclopropanamine?
The InChIKey is VFIBVQVYPLWEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-2-9-16(13-5-6-13)10-11-17-14-7-3-12(15)4-8-14/h3-4,7-8,13H,2,5-6,9-11H2,1H3.
What are the key properties of N-[2-(4-bromophenoxy)ethyl]-N-propylcyclopropanamine?
N-[2-(4-bromophenoxy)ethyl]-N-propylcyclopropanamine has a molecular weight of 298.22 g/mol, XLogP of 3.70, 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-propylcyclopropanamine is sourced from PubChem (CID 54971490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).