2-(3-bromophenoxy)-N-[(1-ethylcyclopropyl)methyl]ethanamine

C14H20BrNO — CID 114099923

IUPAC2-(3-bromophenoxy)-N-[(1-ethylcyclopropyl)methyl]ethanamine
SMILESCCC1(CNCCOc2cccc(Br)c2)CC1
InChIInChI=1S/C14H20BrNO/c1-2-14(6-7-14)11-16-8-9-17-13-5-3-4-12(15)10-13/h3-5,10,16H,2,6-9,11H2,1H3
InChIKeyYFPPENSWNLZRIK-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.61
Rot. Bonds7

About 2-(3-bromophenoxy)-N-[(1-ethylcyclopropyl)methyl]ethanamine

2-(3-bromophenoxy)-N-[(1-ethylcyclopropyl)methyl]ethanamine (PubChem CID 114099923) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-[(1-ethylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-[(1-ethylcyclopropyl)methyl]ethanamine
PubChem CID114099923
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name2-(3-bromophenoxy)-N-[(1-ethylcyclopropyl)methyl]ethanamine
SMILESCCC1(CNCCOc2cccc(Br)c2)CC1
InChIInChI=1S/C14H20BrNO/c1-2-14(6-7-14)11-16-8-9-17-13-5-3-4-12(15)10-13/h3-5,10,16H,2,6-9,11H2,1H3
InChIKeyYFPPENSWNLZRIK-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
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

2-(3-bromophenoxy)-N-[(2-methylthiolan-2-yl)methyl]ethanamine
CID 80723257
1-[[2-(3-bromophenoxy)ethylamino]methyl]cycloheptan-1-ol
CID 65123551
1-(3-bromophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 103735508
2-[2-(3-bromophenoxy)ethoxy]-N-ethylethanamine
CID 62337630
N-[[1-(3-bromophenoxy)cyclopropyl]methyl]-2-methoxyethanamine
CID 114199468
4-bromo-N-[2-(3-bromophenoxy)ethyl]butan-1-amine
CID 106844841
N-[2-(3-bromophenoxy)ethyl]-N'-cyclopropyl-N'-methylethane-1,2-diamine
CID 55142004
N-[2-(3-bromophenoxy)ethyl]butan-1-amine;oxalic acid
CID 2924091
3-[(3-bromophenoxy)methyl]-3-ethyloxetane
CID 84712954
3-[2-(3-bromophenoxy)ethyl]-3-propylazetidine
CID 79451126
N-[2-(3-bromophenoxy)ethyl]-2-(2-methylprop-2-enoxy)ethanamine
CID 114467776
3-(3-bromophenoxy)-N-propan-2-ylpropan-1-amine
CID 29015667

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-[(1-ethylcyclopropyl)methyl]ethanamine?
The IUPAC name of 2-(3-bromophenoxy)-N-[(1-ethylcyclopropyl)methyl]ethanamine (CID 114099923) is 2-(3-bromophenoxy)-N-[(1-ethylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for 2-(3-bromophenoxy)-N-[(1-ethylcyclopropyl)methyl]ethanamine?
The canonical SMILES for 2-(3-bromophenoxy)-N-[(1-ethylcyclopropyl)methyl]ethanamine is CCC1(CNCCOc2cccc(Br)c2)CC1.
What is the InChIKey of 2-(3-bromophenoxy)-N-[(1-ethylcyclopropyl)methyl]ethanamine?
The InChIKey is YFPPENSWNLZRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-2-14(6-7-14)11-16-8-9-17-13-5-3-4-12(15)10-13/h3-5,10,16H,2,6-9,11H2,1H3.
What are the key properties of 2-(3-bromophenoxy)-N-[(1-ethylcyclopropyl)methyl]ethanamine?
2-(3-bromophenoxy)-N-[(1-ethylcyclopropyl)methyl]ethanamine has a molecular weight of 298.22 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-[(1-ethylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 114099923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).