N-[2-[2-(3-bromo-4-ethoxyphenyl)ethoxy]ethyl]cyclopropanamine

C15H22BrNO2 — CID 104662902

IUPACN-[2-[2-(3-bromo-4-ethoxyphenyl)ethoxy]ethyl]cyclopropanamine
SMILESCCOc1ccc(CCOCCNC2CC2)cc1Br
InChIInChI=1S/C15H22BrNO2/c1-2-19-15-6-3-12(11-14(15)16)7-9-18-10-8-17-13-4-5-13/h3,6,11,13,17H,2,4-5,7-10H2,1H3
InChIKeyFYFSMTXUUOLAJB-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.16
Rot. Bonds9

About N-[2-[2-(3-bromo-4-ethoxyphenyl)ethoxy]ethyl]cyclopropanamine

N-[2-[2-(3-bromo-4-ethoxyphenyl)ethoxy]ethyl]cyclopropanamine (PubChem CID 104662902) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is N-[2-[2-(3-bromo-4-ethoxyphenyl)ethoxy]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[2-(3-bromo-4-ethoxyphenyl)ethoxy]ethyl]cyclopropanamine
PubChem CID104662902
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC NameN-[2-[2-(3-bromo-4-ethoxyphenyl)ethoxy]ethyl]cyclopropanamine
SMILESCCOc1ccc(CCOCCNC2CC2)cc1Br
InChIInChI=1S/C15H22BrNO2/c1-2-19-15-6-3-12(11-14(15)16)7-9-18-10-8-17-13-4-5-13/h3,6,11,13,17H,2,4-5,7-10H2,1H3
InChIKeyFYFSMTXUUOLAJB-UHFFFAOYSA-N
XLogP3.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(3-bromo-4-ethoxyphenyl)pentyl]cyclopropanamine
CID 104662908
N-[5-(3-bromo-4-ethoxyphenyl)-3-methylpentyl]cyclopropanamine
CID 104662912
N-[(3-bromo-4-propoxyphenyl)methyl]cyclopropanamine
CID 29222762
N-[5-(3,4-diethoxyphenyl)pentyl]cyclopropanamine
CID 65300915
N-[2-[2-(3-bromo-4-methoxyphenyl)ethoxy]ethyl]propan-1-amine
CID 65303163
2-bromo-1-ethoxy-4-pentylbenzene
CID 171368096
N-[(3-bromo-4-propoxyphenyl)methyl]cyclooctanamine
CID 29222775
N-[2-(3-bromo-4-methoxyphenyl)ethyl]piperidin-4-amine
CID 115118441
N-[2-(2-ethoxyphenoxy)ethyl]cyclopropanamine;hydrochloride
CID 117068187
5-(3-bromo-4-ethoxyphenyl)-N-propylpentan-1-amine
CID 104662920
N-[4-(2-bromo-4,5-diethoxyphenyl)butyl]cyclopropanamine
CID 65305843
1-(3-bromo-4-ethoxyphenyl)-N-methylmethanamine
CID 17157575

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-bromo-4-ethoxyphenyl)ethoxy]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[2-(3-bromo-4-ethoxyphenyl)ethoxy]ethyl]cyclopropanamine (CID 104662902) is N-[2-[2-(3-bromo-4-ethoxyphenyl)ethoxy]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[2-(3-bromo-4-ethoxyphenyl)ethoxy]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[2-(3-bromo-4-ethoxyphenyl)ethoxy]ethyl]cyclopropanamine is CCOc1ccc(CCOCCNC2CC2)cc1Br.
What is the InChIKey of N-[2-[2-(3-bromo-4-ethoxyphenyl)ethoxy]ethyl]cyclopropanamine?
The InChIKey is FYFSMTXUUOLAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-2-19-15-6-3-12(11-14(15)16)7-9-18-10-8-17-13-4-5-13/h3,6,11,13,17H,2,4-5,7-10H2,1H3.
What are the key properties of N-[2-[2-(3-bromo-4-ethoxyphenyl)ethoxy]ethyl]cyclopropanamine?
N-[2-[2-(3-bromo-4-ethoxyphenyl)ethoxy]ethyl]cyclopropanamine has a molecular weight of 328.25 g/mol, XLogP of 3.16, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-bromo-4-ethoxyphenyl)ethoxy]ethyl]cyclopropanamine is sourced from PubChem (CID 104662902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).