N-[[4-[2-(3-bromophenoxy)ethyl]morpholin-3-yl]methyl]cyclopropanamine

C16H23BrN2O2 — CID 83102040

IUPACN-[[4-[2-(3-bromophenoxy)ethyl]morpholin-3-yl]methyl]cyclopropanamine
SMILESBrc1cccc(OCCN2CCOCC2CNC2CC2)c1
InChIInChI=1S/C16H23BrN2O2/c17-13-2-1-3-16(10-13)21-9-7-19-6-8-20-12-15(19)11-18-14-4-5-14/h1-3,10,14-15,18H,4-9,11-12H2
InChIKeyGIXROOACBJSLDL-UHFFFAOYSA-N
MW355.28 g/mol
LogP2.28
Rot. Bonds7

About N-[[4-[2-(3-bromophenoxy)ethyl]morpholin-3-yl]methyl]cyclopropanamine

N-[[4-[2-(3-bromophenoxy)ethyl]morpholin-3-yl]methyl]cyclopropanamine (PubChem CID 83102040) has the molecular formula C16H23BrN2O2 and a molecular weight of 355.28 g/mol. Its IUPAC name is N-[[4-[2-(3-bromophenoxy)ethyl]morpholin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[2-(3-bromophenoxy)ethyl]morpholin-3-yl]methyl]cyclopropanamine
PubChem CID83102040
Molecular FormulaC16H23BrN2O2
Molecular Weight355.28 g/mol
Exact Mass354.09
IUPAC NameN-[[4-[2-(3-bromophenoxy)ethyl]morpholin-3-yl]methyl]cyclopropanamine
SMILESBrc1cccc(OCCN2CCOCC2CNC2CC2)c1
InChIInChI=1S/C16H23BrN2O2/c17-13-2-1-3-16(10-13)21-9-7-19-6-8-20-12-15(19)11-18-14-4-5-14/h1-3,10,14-15,18H,4-9,11-12H2
InChIKeyGIXROOACBJSLDL-UHFFFAOYSA-N
XLogP2.28
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-[2-(3-bromophenoxy)ethyl]morpholin-3-yl]methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-[2-(4-bromophenoxy)ethyl]morpholin-3-yl]methyl]cyclopropanamine
CID 83102043
N-[[1-[2-(4-bromophenoxy)ethyl]piperidin-2-yl]methyl]cyclopropanamine
CID 62580767
N-[[4-(2-butoxyethyl)morpholin-3-yl]methyl]cyclopropanamine
CID 83099766
N-[2-(3-bromophenoxy)ethyl]morpholin-4-amine
CID 83021921
1-[4-[2-(4-methoxyphenoxy)ethyl]morpholin-3-yl]-N-methylmethanamine
CID 83100712
3-[2-(3-bromophenoxy)ethyl]oxan-4-ol
CID 106471299
1-[1-[2-(3-bromophenoxy)ethyl]pyrrolidin-2-yl]propan-2-one
CID 79547047
N-[[4-[2-(4-methoxyphenoxy)ethyl]morpholin-3-yl]methyl]ethanamine
CID 83101803
N-[[4-(pyridin-3-ylmethyl)morpholin-3-yl]methyl]cyclopropanamine
CID 83100511
3-(3-bromophenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one
CID 119622818
[1-[2-(3-bromophenoxy)ethyl]-4-methoxypiperidin-2-yl]methanamine
CID 115963795
(2S)-1-[2-(3-bromophenoxy)ethyl]pyrrolidine-2-carboxylic acid
CID 93049033

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(3-bromophenoxy)ethyl]morpholin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[2-(3-bromophenoxy)ethyl]morpholin-3-yl]methyl]cyclopropanamine (CID 83102040) is N-[[4-[2-(3-bromophenoxy)ethyl]morpholin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[2-(3-bromophenoxy)ethyl]morpholin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[2-(3-bromophenoxy)ethyl]morpholin-3-yl]methyl]cyclopropanamine is Brc1cccc(OCCN2CCOCC2CNC2CC2)c1.
What is the InChIKey of N-[[4-[2-(3-bromophenoxy)ethyl]morpholin-3-yl]methyl]cyclopropanamine?
The InChIKey is GIXROOACBJSLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2/c17-13-2-1-3-16(10-13)21-9-7-19-6-8-20-12-15(19)11-18-14-4-5-14/h1-3,10,14-15,18H,4-9,11-12H2.
What are the key properties of N-[[4-[2-(3-bromophenoxy)ethyl]morpholin-3-yl]methyl]cyclopropanamine?
N-[[4-[2-(3-bromophenoxy)ethyl]morpholin-3-yl]methyl]cyclopropanamine has a molecular weight of 355.28 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(3-bromophenoxy)ethyl]morpholin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 83102040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).