N-[2-(4-bromophenyl)-2-(2-cyclopropylethoxy)ethyl]cyclopropanamine

C16H22BrNO — CID 106204912

IUPACN-[2-(4-bromophenyl)-2-(2-cyclopropylethoxy)ethyl]cyclopropanamine
SMILESBrc1ccc(C(CNC2CC2)OCCC2CC2)cc1
InChIInChI=1S/C16H22BrNO/c17-14-5-3-13(4-6-14)16(11-18-15-7-8-15)19-10-9-12-1-2-12/h3-6,12,15-16,18H,1-2,7-11H2
InChIKeyVUQHVCLVEYHAOH-UHFFFAOYSA-N
MW324.26 g/mol
LogP4.06
Rot. Bonds8

About N-[2-(4-bromophenyl)-2-(2-cyclopropylethoxy)ethyl]cyclopropanamine

N-[2-(4-bromophenyl)-2-(2-cyclopropylethoxy)ethyl]cyclopropanamine (PubChem CID 106204912) has the molecular formula C16H22BrNO and a molecular weight of 324.26 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)-2-(2-cyclopropylethoxy)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)-2-(2-cyclopropylethoxy)ethyl]cyclopropanamine
PubChem CID106204912
Molecular FormulaC16H22BrNO
Molecular Weight324.26 g/mol
Exact Mass323.09
IUPAC NameN-[2-(4-bromophenyl)-2-(2-cyclopropylethoxy)ethyl]cyclopropanamine
SMILESBrc1ccc(C(CNC2CC2)OCCC2CC2)cc1
InChIInChI=1S/C16H22BrNO/c17-14-5-3-13(4-6-14)16(11-18-15-7-8-15)19-10-9-12-1-2-12/h3-6,12,15-16,18H,1-2,7-11H2
InChIKeyVUQHVCLVEYHAOH-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-2-(2-cyclopropylethoxy)-N-methylethanamine
CID 106204927
N-[2-(4-chlorophenyl)-2-(2-cyclopropylethoxy)ethyl]cyclopropanamine
CID 106204926
N-[2-(4-bromophenyl)-2-(2-cyclopropylethoxy)ethyl]propan-2-amine
CID 106204893
N-[2-(2-cyclobutylethoxy)-2-phenylethyl]cyclopropanamine
CID 106205044
N-[2-(4-bromophenyl)-2-methoxyethyl]cyclopropanamine
CID 62106930
2-(4-bromophenyl)-2-(2-cyclobutylethoxy)-N-ethylethanamine
CID 106205111
N-[2-(4-bromophenyl)-2-cyclopentyloxyethyl]cyclopropanamine
CID 62105937
2-(4-bromophenyl)-2-(2-cyclobutylethoxy)ethanamine
CID 106200075
2-(2-cyclopropylethoxy)-N-methyl-2-(4-methylphenyl)ethanamine
CID 106204976
N-[2-(4-bromophenyl)-2-(cyclopropylmethoxy)ethyl]-2-methylpropan-2-amine
CID 62107147
N-[2-(3,3-dimethylbutoxy)-2-(4-fluorophenyl)ethyl]cyclopropanamine
CID 66227133
N-[2-(4-chlorophenyl)-2-(2-cyclopropylethoxy)ethyl]-2-methylpropan-2-amine
CID 106204958

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)-2-(2-cyclopropylethoxy)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(4-bromophenyl)-2-(2-cyclopropylethoxy)ethyl]cyclopropanamine (CID 106204912) is N-[2-(4-bromophenyl)-2-(2-cyclopropylethoxy)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(4-bromophenyl)-2-(2-cyclopropylethoxy)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(4-bromophenyl)-2-(2-cyclopropylethoxy)ethyl]cyclopropanamine is Brc1ccc(C(CNC2CC2)OCCC2CC2)cc1.
What is the InChIKey of N-[2-(4-bromophenyl)-2-(2-cyclopropylethoxy)ethyl]cyclopropanamine?
The InChIKey is VUQHVCLVEYHAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO/c17-14-5-3-13(4-6-14)16(11-18-15-7-8-15)19-10-9-12-1-2-12/h3-6,12,15-16,18H,1-2,7-11H2.
What are the key properties of N-[2-(4-bromophenyl)-2-(2-cyclopropylethoxy)ethyl]cyclopropanamine?
N-[2-(4-bromophenyl)-2-(2-cyclopropylethoxy)ethyl]cyclopropanamine has a molecular weight of 324.26 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)-2-(2-cyclopropylethoxy)ethyl]cyclopropanamine is sourced from PubChem (CID 106204912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).