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

C16H23BrN2O2 — CID 83102043

IUPACN-[[4-[2-(4-bromophenoxy)ethyl]morpholin-3-yl]methyl]cyclopropanamine
SMILESBrc1ccc(OCCN2CCOCC2CNC2CC2)cc1
InChIInChI=1S/C16H23BrN2O2/c17-13-1-5-16(6-2-13)21-10-8-19-7-9-20-12-15(19)11-18-14-3-4-14/h1-2,5-6,14-15,18H,3-4,7-12H2
InChIKeyDSZPNTZXNWNABZ-UHFFFAOYSA-N
MW355.28 g/mol
LogP2.28
Rot. Bonds7

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

N-[[4-[2-(4-bromophenoxy)ethyl]morpholin-3-yl]methyl]cyclopropanamine (PubChem CID 83102043) has the molecular formula C16H23BrN2O2 and a molecular weight of 355.28 g/mol. Its IUPAC name is N-[[4-[2-(4-bromophenoxy)ethyl]morpholin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[2-(4-bromophenoxy)ethyl]morpholin-3-yl]methyl]cyclopropanamine
PubChem CID83102043
Molecular FormulaC16H23BrN2O2
Molecular Weight355.28 g/mol
Exact Mass354.09
IUPAC NameN-[[4-[2-(4-bromophenoxy)ethyl]morpholin-3-yl]methyl]cyclopropanamine
SMILESBrc1ccc(OCCN2CCOCC2CNC2CC2)cc1
InChIInChI=1S/C16H23BrN2O2/c17-13-1-5-16(6-2-13)21-10-8-19-7-9-20-12-15(19)11-18-14-3-4-14/h1-2,5-6,14-15,18H,3-4,7-12H2
InChIKeyDSZPNTZXNWNABZ-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

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(4-bromophenoxy)ethyl]morpholin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[2-(4-bromophenoxy)ethyl]morpholin-3-yl]methyl]cyclopropanamine (CID 83102043) is N-[[4-[2-(4-bromophenoxy)ethyl]morpholin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[2-(4-bromophenoxy)ethyl]morpholin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[2-(4-bromophenoxy)ethyl]morpholin-3-yl]methyl]cyclopropanamine is Brc1ccc(OCCN2CCOCC2CNC2CC2)cc1.
What is the InChIKey of N-[[4-[2-(4-bromophenoxy)ethyl]morpholin-3-yl]methyl]cyclopropanamine?
The InChIKey is DSZPNTZXNWNABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2/c17-13-1-5-16(6-2-13)21-10-8-19-7-9-20-12-15(19)11-18-14-3-4-14/h1-2,5-6,14-15,18H,3-4,7-12H2.
What are the key properties of N-[[4-[2-(4-bromophenoxy)ethyl]morpholin-3-yl]methyl]cyclopropanamine?
N-[[4-[2-(4-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-(4-bromophenoxy)ethyl]morpholin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 83102043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).