N-[2-[2-(3-bromophenoxy)ethyl]-2-methylpentyl]cyclopropanamine

C17H26BrNO — CID 63508914

IUPACN-[2-[2-(3-bromophenoxy)ethyl]-2-methylpentyl]cyclopropanamine
SMILESCCCC(C)(CCOc1cccc(Br)c1)CNC1CC1
InChIInChI=1S/C17H26BrNO/c1-3-9-17(2,13-19-15-7-8-15)10-11-20-16-6-4-5-14(18)12-16/h4-6,12,15,19H,3,7-11,13H2,1-2H3
InChIKeyNWTKOGJHVDGEPB-UHFFFAOYSA-N
MW340.30 g/mol
LogP4.78
Rot. Bonds9

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

N-[2-[2-(3-bromophenoxy)ethyl]-2-methylpentyl]cyclopropanamine (PubChem CID 63508914) has the molecular formula C17H26BrNO and a molecular weight of 340.30 g/mol. Its IUPAC name is N-[2-[2-(3-bromophenoxy)ethyl]-2-methylpentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[2-(3-bromophenoxy)ethyl]-2-methylpentyl]cyclopropanamine
PubChem CID63508914
Molecular FormulaC17H26BrNO
Molecular Weight340.30 g/mol
Exact Mass339.12
IUPAC NameN-[2-[2-(3-bromophenoxy)ethyl]-2-methylpentyl]cyclopropanamine
SMILESCCCC(C)(CCOc1cccc(Br)c1)CNC1CC1
InChIInChI=1S/C17H26BrNO/c1-3-9-17(2,13-19-15-7-8-15)10-11-20-16-6-4-5-14(18)12-16/h4-6,12,15,19H,3,7-11,13H2,1-2H3
InChIKeyNWTKOGJHVDGEPB-UHFFFAOYSA-N
XLogP4.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(3-bromophenoxy)ethyl]-2-methyl-N-propylpentan-1-amine
CID 63509767
2-[2-(3-bromophenoxy)ethyl]-2-methyl-N-propan-2-ylpentan-1-amine
CID 63508559
1-bromo-3-[3-(bromomethyl)-3-methylhexoxy]benzene
CID 66049343
1-bromo-3-[4-bromo-3-(bromomethyl)-3-methylbutoxy]benzene
CID 79453369
1-(3-bromophenoxy)-3,4-dimethylhexan-3-amine
CID 54971752
N-[2-methyl-2-[2-(2-methylpropoxy)ethyl]pentyl]cyclopropanamine
CID 106456863
N-[2-methyl-2-(2-propan-2-yloxyethyl)pentyl]cyclopropanamine
CID 62725819
N-[2-methyl-2-[2-(3-methylbutoxy)ethyl]pentyl]cyclopropanamine
CID 55106599
4-[2-(3-bromophenoxy)ethylamino]cyclohexane-1-carboxylic acid
CID 60809216
N-[2-[(2,6-dichlorophenyl)methyl]-2-methylpentyl]cyclopropanamine
CID 63509602
N-[2-(3-bromophenoxy)ethyl]-3-ethylcyclohexan-1-amine
CID 64742220
1-bromo-3-[4-bromo-3-(bromomethyl)-3-cyclopentylbutoxy]benzene
CID 115927228

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-bromophenoxy)ethyl]-2-methylpentyl]cyclopropanamine?
The IUPAC name of N-[2-[2-(3-bromophenoxy)ethyl]-2-methylpentyl]cyclopropanamine (CID 63508914) is N-[2-[2-(3-bromophenoxy)ethyl]-2-methylpentyl]cyclopropanamine.
What is the SMILES notation for N-[2-[2-(3-bromophenoxy)ethyl]-2-methylpentyl]cyclopropanamine?
The canonical SMILES for N-[2-[2-(3-bromophenoxy)ethyl]-2-methylpentyl]cyclopropanamine is CCCC(C)(CCOc1cccc(Br)c1)CNC1CC1.
What is the InChIKey of N-[2-[2-(3-bromophenoxy)ethyl]-2-methylpentyl]cyclopropanamine?
The InChIKey is NWTKOGJHVDGEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-3-9-17(2,13-19-15-7-8-15)10-11-20-16-6-4-5-14(18)12-16/h4-6,12,15,19H,3,7-11,13H2,1-2H3.
What are the key properties of N-[2-[2-(3-bromophenoxy)ethyl]-2-methylpentyl]cyclopropanamine?
N-[2-[2-(3-bromophenoxy)ethyl]-2-methylpentyl]cyclopropanamine has a molecular weight of 340.30 g/mol, XLogP of 4.78, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-bromophenoxy)ethyl]-2-methylpentyl]cyclopropanamine is sourced from PubChem (CID 63508914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).