2-(3-bromophenoxy)-N-(dicyclopropylmethyl)ethanamine

C15H20BrNO — CID 55024241

IUPAC2-(3-bromophenoxy)-N-(dicyclopropylmethyl)ethanamine
SMILESBrc1cccc(OCCNC(C2CC2)C2CC2)c1
InChIInChI=1S/C15H20BrNO/c16-13-2-1-3-14(10-13)18-9-8-17-15(11-4-5-11)12-6-7-12/h1-3,10-12,15,17H,4-9H2
InChIKeyZEROFILYTPUGDA-UHFFFAOYSA-N
MW310.23 g/mol
LogP3.61
Rot. Bonds7

About 2-(3-bromophenoxy)-N-(dicyclopropylmethyl)ethanamine

2-(3-bromophenoxy)-N-(dicyclopropylmethyl)ethanamine (PubChem CID 55024241) has the molecular formula C15H20BrNO and a molecular weight of 310.23 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-(dicyclopropylmethyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-(dicyclopropylmethyl)ethanamine
PubChem CID55024241
Molecular FormulaC15H20BrNO
Molecular Weight310.23 g/mol
Exact Mass309.07
IUPAC Name2-(3-bromophenoxy)-N-(dicyclopropylmethyl)ethanamine
SMILESBrc1cccc(OCCNC(C2CC2)C2CC2)c1
InChIInChI=1S/C15H20BrNO/c16-13-2-1-3-14(10-13)18-9-8-17-15(11-4-5-11)12-6-7-12/h1-3,10-12,15,17H,4-9H2
InChIKeyZEROFILYTPUGDA-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(dicyclopropylmethyl)-2-(3-ethoxyphenoxy)ethanamine
CID 62583433
1-N'-[2-(3-bromophenoxy)ethyl]ethane-1,1-diamine
CID 163538279
3-(3-bromophenoxy)-N-propan-2-ylpropan-1-amine
CID 29015667
(1R)-N-[2-(3-bromophenoxy)ethyl]-1-(3-bromophenyl)ethanamine
CID 81381208
N-(dicyclopropylmethyl)-2-(3-fluoro-4-methylphenoxy)ethanamine
CID 107170975
N-[2-(3-bromophenoxy)ethyl]-1-phenylpropan-2-amine
CID 63011429
N-[2-(3-bromophenoxy)ethyl]pyrrol-1-amine
CID 79101261
N-(dicyclopropylmethyl)-2-(3,5-difluorophenoxy)ethanamine
CID 55112761
3-[2-(3-bromophenoxy)ethylamino]-2-methylbutan-1-ol
CID 113484809
N-[2-(3-bromophenoxy)ethyl]morpholin-4-amine
CID 83021921
N-[2-(3-bromophenoxy)ethyl]-2,6-dimethylpiperidin-1-amine
CID 83021328
1-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]ethanamine
CID 60696154

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-(dicyclopropylmethyl)ethanamine?
The IUPAC name of 2-(3-bromophenoxy)-N-(dicyclopropylmethyl)ethanamine (CID 55024241) is 2-(3-bromophenoxy)-N-(dicyclopropylmethyl)ethanamine.
What is the SMILES notation for 2-(3-bromophenoxy)-N-(dicyclopropylmethyl)ethanamine?
The canonical SMILES for 2-(3-bromophenoxy)-N-(dicyclopropylmethyl)ethanamine is Brc1cccc(OCCNC(C2CC2)C2CC2)c1.
What is the InChIKey of 2-(3-bromophenoxy)-N-(dicyclopropylmethyl)ethanamine?
The InChIKey is ZEROFILYTPUGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c16-13-2-1-3-14(10-13)18-9-8-17-15(11-4-5-11)12-6-7-12/h1-3,10-12,15,17H,4-9H2.
What are the key properties of 2-(3-bromophenoxy)-N-(dicyclopropylmethyl)ethanamine?
2-(3-bromophenoxy)-N-(dicyclopropylmethyl)ethanamine has a molecular weight of 310.23 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-(dicyclopropylmethyl)ethanamine is sourced from PubChem (CID 55024241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).