2-[5-bromo-2-(cyclopropylmethoxy)phenyl]ethanamine

C12H16BrNO — CID 60906211

IUPAC2-[5-bromo-2-(cyclopropylmethoxy)phenyl]ethanamine
SMILESNCCc1cc(Br)ccc1OCC1CC1
InChIInChI=1S/C12H16BrNO/c13-11-3-4-12(10(7-11)5-6-14)15-8-9-1-2-9/h3-4,7,9H,1-2,5-6,8,14H2
InChIKeyPBDXAHGVYZMVNK-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.74
Rot. Bonds5

About 2-[5-bromo-2-(cyclopropylmethoxy)phenyl]ethanamine

2-[5-bromo-2-(cyclopropylmethoxy)phenyl]ethanamine (PubChem CID 60906211) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 2-[5-bromo-2-(cyclopropylmethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[5-bromo-2-(cyclopropylmethoxy)phenyl]ethanamine
PubChem CID60906211
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name2-[5-bromo-2-(cyclopropylmethoxy)phenyl]ethanamine
SMILESNCCc1cc(Br)ccc1OCC1CC1
InChIInChI=1S/C12H16BrNO/c13-11-3-4-12(10(7-11)5-6-14)15-8-9-1-2-9/h3-4,7,9H,1-2,5-6,8,14H2
InChIKeyPBDXAHGVYZMVNK-UHFFFAOYSA-N
XLogP2.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[5-bromo-2-(cyclopropylmethoxy)phenyl]propanal
CID 117454997
[5-bromo-2-(cyclopentylmethoxy)phenyl]methanamine
CID 61344976
2-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-5-bromophenyl]ethanamine
CID 66397004
2-(5-bromo-2-prop-2-enoxyphenyl)ethanamine
CID 60905064
2-[2-(cyclopentylmethoxy)-5-methoxyphenyl]ethanamine
CID 61343767
4-bromo-2-(chloromethyl)-1-(cyclohexylmethoxy)benzene
CID 28981481
2-[2-(2-aminoethyl)-4-bromophenoxy]-N-cyclopropylacetamide
CID 54931519
N-[[5-bromo-2-(cyclobutylmethoxy)phenyl]methyl]hydroxylamine
CID 117461140
2-[5-(cyclopropylmethoxymethyl)-2-ethoxyphenyl]ethanamine
CID 170888240
2-(5-bromo-2-heptoxyphenyl)ethanamine
CID 55199979
2-[5-bromo-2-(3-methylbutoxy)phenyl]ethanamine
CID 60905415
4-bromo-2-(cyclopropylmethoxy)-1-iodobenzene
CID 147305100

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-2-(cyclopropylmethoxy)phenyl]ethanamine?
The IUPAC name of 2-[5-bromo-2-(cyclopropylmethoxy)phenyl]ethanamine (CID 60906211) is 2-[5-bromo-2-(cyclopropylmethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[5-bromo-2-(cyclopropylmethoxy)phenyl]ethanamine?
The canonical SMILES for 2-[5-bromo-2-(cyclopropylmethoxy)phenyl]ethanamine is NCCc1cc(Br)ccc1OCC1CC1.
What is the InChIKey of 2-[5-bromo-2-(cyclopropylmethoxy)phenyl]ethanamine?
The InChIKey is PBDXAHGVYZMVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c13-11-3-4-12(10(7-11)5-6-14)15-8-9-1-2-9/h3-4,7,9H,1-2,5-6,8,14H2.
What are the key properties of 2-[5-bromo-2-(cyclopropylmethoxy)phenyl]ethanamine?
2-[5-bromo-2-(cyclopropylmethoxy)phenyl]ethanamine has a molecular weight of 270.17 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-2-(cyclopropylmethoxy)phenyl]ethanamine is sourced from PubChem (CID 60906211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).