N-[2-(3-bromophenyl)-2-(cyclopropylmethoxy)ethyl]cyclopropanamine

C15H20BrNO — CID 62108746

IUPACN-[2-(3-bromophenyl)-2-(cyclopropylmethoxy)ethyl]cyclopropanamine
SMILESBrc1cccc(C(CNC2CC2)OCC2CC2)c1
InChIInChI=1S/C15H20BrNO/c16-13-3-1-2-12(8-13)15(9-17-14-6-7-14)18-10-11-4-5-11/h1-3,8,11,14-15,17H,4-7,9-10H2
InChIKeyLBZVFSYVVPAFNJ-UHFFFAOYSA-N
MW310.23 g/mol
LogP3.67
Rot. Bonds7

About N-[2-(3-bromophenyl)-2-(cyclopropylmethoxy)ethyl]cyclopropanamine

N-[2-(3-bromophenyl)-2-(cyclopropylmethoxy)ethyl]cyclopropanamine (PubChem CID 62108746) has the molecular formula C15H20BrNO and a molecular weight of 310.23 g/mol. Its IUPAC name is N-[2-(3-bromophenyl)-2-(cyclopropylmethoxy)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3-bromophenyl)-2-(cyclopropylmethoxy)ethyl]cyclopropanamine
PubChem CID62108746
Molecular FormulaC15H20BrNO
Molecular Weight310.23 g/mol
Exact Mass309.07
IUPAC NameN-[2-(3-bromophenyl)-2-(cyclopropylmethoxy)ethyl]cyclopropanamine
SMILESBrc1cccc(C(CNC2CC2)OCC2CC2)c1
InChIInChI=1S/C15H20BrNO/c16-13-3-1-2-12(8-13)15(9-17-14-6-7-14)18-10-11-4-5-11/h1-3,8,11,14-15,17H,4-7,9-10H2
InChIKeyLBZVFSYVVPAFNJ-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-bromophenyl)-2-cyclobutyloxyethyl]cyclopropanamine
CID 62382196
N-[2-(cyclopentylmethoxy)-2-(3-fluorophenyl)ethyl]cyclopropanamine
CID 66321628
2-(3-bromophenyl)-2-(cyclopentylmethoxy)ethanamine
CID 66323008
2-(3-bromophenyl)-3-(cyclopropylamino)propan-1-ol
CID 117242819
2-(3-bromophenyl)-N-ethyl-2-(oxolan-3-ylmethoxy)ethanamine
CID 55036296
N-[2-(3-bromophenyl)-2-(oxolan-3-ylmethoxy)ethyl]propan-2-amine
CID 62110909
2-(cyclopropylmethoxy)-N-methyl-2-(3-methylphenyl)ethanamine
CID 62106439
2-(3-chlorophenyl)-2-(cyclopropylmethoxy)-N-methylethanamine
CID 62107327
N-[2-(3-bromophenyl)-5-methylhexyl]cyclopropanamine
CID 79443132
N-[2-(3-bromophenyl)-3-(oxan-4-yl)propyl]cyclopropanamine
CID 79442605
N-[2-(4-bromophenyl)-2-(2-cyclopropylethoxy)ethyl]cyclopropanamine
CID 106204912
N-[2-(cyclopentylmethoxy)-2-(4-methylphenyl)ethyl]cyclopropanamine
CID 66322051

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenyl)-2-(cyclopropylmethoxy)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(3-bromophenyl)-2-(cyclopropylmethoxy)ethyl]cyclopropanamine (CID 62108746) is N-[2-(3-bromophenyl)-2-(cyclopropylmethoxy)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(3-bromophenyl)-2-(cyclopropylmethoxy)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(3-bromophenyl)-2-(cyclopropylmethoxy)ethyl]cyclopropanamine is Brc1cccc(C(CNC2CC2)OCC2CC2)c1.
What is the InChIKey of N-[2-(3-bromophenyl)-2-(cyclopropylmethoxy)ethyl]cyclopropanamine?
The InChIKey is LBZVFSYVVPAFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c16-13-3-1-2-12(8-13)15(9-17-14-6-7-14)18-10-11-4-5-11/h1-3,8,11,14-15,17H,4-7,9-10H2.
What are the key properties of N-[2-(3-bromophenyl)-2-(cyclopropylmethoxy)ethyl]cyclopropanamine?
N-[2-(3-bromophenyl)-2-(cyclopropylmethoxy)ethyl]cyclopropanamine has a molecular weight of 310.23 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenyl)-2-(cyclopropylmethoxy)ethyl]cyclopropanamine is sourced from PubChem (CID 62108746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).