1-[3-bromo-4-(2-cyclopropylethoxy)phenyl]-N-ethylethanamine

C15H22BrNO — CID 106202199

IUPAC1-[3-bromo-4-(2-cyclopropylethoxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(OCCC2CC2)c(Br)c1
InChIInChI=1S/C15H22BrNO/c1-3-17-11(2)13-6-7-15(14(16)10-13)18-9-8-12-4-5-12/h6-7,10-12,17H,3-5,8-9H2,1-2H3
InChIKeyIVUQNLGAAQVZLW-UHFFFAOYSA-N
MW312.25 g/mol
LogP4.30
Rot. Bonds7

About 1-[3-bromo-4-(2-cyclopropylethoxy)phenyl]-N-ethylethanamine

1-[3-bromo-4-(2-cyclopropylethoxy)phenyl]-N-ethylethanamine (PubChem CID 106202199) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 1-[3-bromo-4-(2-cyclopropylethoxy)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[3-bromo-4-(2-cyclopropylethoxy)phenyl]-N-ethylethanamine
PubChem CID106202199
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name1-[3-bromo-4-(2-cyclopropylethoxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(OCCC2CC2)c(Br)c1
InChIInChI=1S/C15H22BrNO/c1-3-17-11(2)13-6-7-15(14(16)10-13)18-9-8-12-4-5-12/h6-7,10-12,17H,3-5,8-9H2,1-2H3
InChIKeyIVUQNLGAAQVZLW-UHFFFAOYSA-N
XLogP4.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-bromo-4-(2-cyclobutylethoxy)phenyl]-N-ethylethanamine
CID 106202278
1-(3-bromo-4-octoxyphenyl)-N-ethylethanamine
CID 63533481
(1R)-1-(3-bromo-4-methoxyphenyl)-N-ethylethanamine
CID 164536532
1-[3-bromo-4-(4-methylcyclohexyl)oxyphenyl]-N-ethylethanamine
CID 63532113
1-[3-chloro-4-(cyclopropylmethoxy)phenyl]-N-ethylethanamine
CID 62911548
1-[3-bromo-4-(2-pyridin-2-ylethoxy)phenyl]-N-ethylethanamine
CID 62911909
N-[1-[3-bromo-4-(2-ethoxyethoxy)phenyl]ethyl]propan-1-amine
CID 55131505
2-bromo-1-(2-cyclopropylethoxy)-4-methoxybenzene
CID 104707383
N-[1-(3-bromo-4-propoxyphenyl)-2-cyclopropylethyl]propan-1-amine
CID 104658095
N-[(3-bromo-4-propoxyphenyl)-cyclohexylmethyl]ethanamine
CID 104658059
1-[3-(2-cyclobutylethoxymethyl)-4-methoxyphenyl]-N-ethylethanamine
CID 106201082
1-[2-chloro-4-(2-cyclopropylethoxy)phenyl]-N-ethylethanamine
CID 106202259

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-(2-cyclopropylethoxy)phenyl]-N-ethylethanamine?
The IUPAC name of 1-[3-bromo-4-(2-cyclopropylethoxy)phenyl]-N-ethylethanamine (CID 106202199) is 1-[3-bromo-4-(2-cyclopropylethoxy)phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[3-bromo-4-(2-cyclopropylethoxy)phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[3-bromo-4-(2-cyclopropylethoxy)phenyl]-N-ethylethanamine is CCNC(C)c1ccc(OCCC2CC2)c(Br)c1.
What is the InChIKey of 1-[3-bromo-4-(2-cyclopropylethoxy)phenyl]-N-ethylethanamine?
The InChIKey is IVUQNLGAAQVZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-3-17-11(2)13-6-7-15(14(16)10-13)18-9-8-12-4-5-12/h6-7,10-12,17H,3-5,8-9H2,1-2H3.
What are the key properties of 1-[3-bromo-4-(2-cyclopropylethoxy)phenyl]-N-ethylethanamine?
1-[3-bromo-4-(2-cyclopropylethoxy)phenyl]-N-ethylethanamine has a molecular weight of 312.25 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-(2-cyclopropylethoxy)phenyl]-N-ethylethanamine is sourced from PubChem (CID 106202199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).