N-[2-(3-bromophenoxy)ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine

C16H18BrNOS — CID 63458323

IUPACN-[2-(3-bromophenoxy)ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
SMILESBrc1cccc(OCCN(Cc2ccsc2)C2CC2)c1
InChIInChI=1S/C16H18BrNOS/c17-14-2-1-3-16(10-14)19-8-7-18(15-4-5-15)11-13-6-9-20-12-13/h1-3,6,9-10,12,15H,4-5,7-8,11H2
InChIKeyVHDPHRAZHNIMCV-UHFFFAOYSA-N
MW352.30 g/mol
LogP4.55
Rot. Bonds7

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

N-[2-(3-bromophenoxy)ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine (PubChem CID 63458323) has the molecular formula C16H18BrNOS and a molecular weight of 352.30 g/mol. Its IUPAC name is N-[2-(3-bromophenoxy)ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3-bromophenoxy)ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
PubChem CID63458323
Molecular FormulaC16H18BrNOS
Molecular Weight352.30 g/mol
Exact Mass351.03
IUPAC NameN-[2-(3-bromophenoxy)ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
SMILESBrc1cccc(OCCN(Cc2ccsc2)C2CC2)c1
InChIInChI=1S/C16H18BrNOS/c17-14-2-1-3-16(10-14)19-8-7-18(15-4-5-15)11-13-6-9-20-12-13/h1-3,6,9-10,12,15H,4-5,7-8,11H2
InChIKeyVHDPHRAZHNIMCV-UHFFFAOYSA-N
XLogP4.55
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.30
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-bromophenoxy)ethyl]-N-(3-methylbutyl)cyclopropanamine
CID 78943956
N-[2-(2-aminoethoxy)ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 79479893
N-(2-chloroethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61435255
2-[2-(3-bromophenoxy)ethyl-cyclopentylamino]acetic acid
CID 60834612
5-bromo-2-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]aniline
CID 79712882
4-[cyclopropyl(thiophen-3-ylmethyl)amino]butan-1-ol
CID 61435347
3-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoic acid
CID 60838165
2-[3-(aminomethyl)phenoxy]-N-methyl-N-(thiophen-3-ylmethyl)ethanamine
CID 43530779
N'-cyclopropyl-N-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 61435554
N-[2-(3-bromophenoxy)ethyl]-N'-cyclopropyl-N'-methylethane-1,2-diamine
CID 55142004
4-bromo-1-N-cyclopropyl-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine
CID 55135535
3-N-cyclopropyl-5-propoxy-3-N-(thiophen-3-ylmethyl)benzene-1,3-diamine
CID 80724659

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenoxy)ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine?
The IUPAC name of N-[2-(3-bromophenoxy)ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine (CID 63458323) is N-[2-(3-bromophenoxy)ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[2-(3-bromophenoxy)ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[2-(3-bromophenoxy)ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine is Brc1cccc(OCCN(Cc2ccsc2)C2CC2)c1.
What is the InChIKey of N-[2-(3-bromophenoxy)ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine?
The InChIKey is VHDPHRAZHNIMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNOS/c17-14-2-1-3-16(10-14)19-8-7-18(15-4-5-15)11-13-6-9-20-12-13/h1-3,6,9-10,12,15H,4-5,7-8,11H2.
What are the key properties of N-[2-(3-bromophenoxy)ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine?
N-[2-(3-bromophenoxy)ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine has a molecular weight of 352.30 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenoxy)ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine is sourced from PubChem (CID 63458323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).