N-[5-(3-bromo-4-ethoxyphenyl)pentyl]cyclopropanamine

C16H24BrNO — CID 104662908

IUPACN-[5-(3-bromo-4-ethoxyphenyl)pentyl]cyclopropanamine
SMILESCCOc1ccc(CCCCCNC2CC2)cc1Br
InChIInChI=1S/C16H24BrNO/c1-2-19-16-10-7-13(12-15(16)17)6-4-3-5-11-18-14-8-9-14/h7,10,12,14,18H,2-6,8-9,11H2,1H3
InChIKeyRSTAHODREIGSRH-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.31
Rot. Bonds9

About N-[5-(3-bromo-4-ethoxyphenyl)pentyl]cyclopropanamine

N-[5-(3-bromo-4-ethoxyphenyl)pentyl]cyclopropanamine (PubChem CID 104662908) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is N-[5-(3-bromo-4-ethoxyphenyl)pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[5-(3-bromo-4-ethoxyphenyl)pentyl]cyclopropanamine
PubChem CID104662908
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC NameN-[5-(3-bromo-4-ethoxyphenyl)pentyl]cyclopropanamine
SMILESCCOc1ccc(CCCCCNC2CC2)cc1Br
InChIInChI=1S/C16H24BrNO/c1-2-19-16-10-7-13(12-15(16)17)6-4-3-5-11-18-14-8-9-14/h7,10,12,14,18H,2-6,8-9,11H2,1H3
InChIKeyRSTAHODREIGSRH-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.31
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-[5-(3,4-diethoxyphenyl)pentyl]cyclopropanamine
CID 65300915
N-[2-[2-(3-bromo-4-ethoxyphenyl)ethoxy]ethyl]cyclopropanamine
CID 104662902
N-[5-(3-bromo-4-ethoxyphenyl)-3-methylpentyl]cyclopropanamine
CID 104662912
5-(3-bromo-4-ethoxyphenyl)-N-propylpentan-1-amine
CID 104662920
5-(3-bromo-4-ethoxyphenyl)pentan-1-amine
CID 104662909
N-[4-(2-bromo-4,5-diethoxyphenyl)butyl]cyclopropanamine
CID 65305843
2-bromo-1-ethoxy-4-pentylbenzene
CID 171368096
5-(3-bromo-4-ethoxyphenyl)-N-(2-methylpropyl)pentan-1-amine
CID 104662891
N-[6-(3-chloro-4-methoxyphenyl)hexyl]cyclopropanamine
CID 65308462
N-[5-(2-ethoxy-5-methylphenyl)pentyl]cyclopropanamine
CID 65305770
N-[6-(3-fluoro-4-methoxyphenyl)hexyl]cyclopropanamine
CID 65306006
N-[6-(3,4-dimethylphenyl)hexyl]cyclopropanamine
CID 65308417

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-bromo-4-ethoxyphenyl)pentyl]cyclopropanamine?
The IUPAC name of N-[5-(3-bromo-4-ethoxyphenyl)pentyl]cyclopropanamine (CID 104662908) is N-[5-(3-bromo-4-ethoxyphenyl)pentyl]cyclopropanamine.
What is the SMILES notation for N-[5-(3-bromo-4-ethoxyphenyl)pentyl]cyclopropanamine?
The canonical SMILES for N-[5-(3-bromo-4-ethoxyphenyl)pentyl]cyclopropanamine is CCOc1ccc(CCCCCNC2CC2)cc1Br.
What is the InChIKey of N-[5-(3-bromo-4-ethoxyphenyl)pentyl]cyclopropanamine?
The InChIKey is RSTAHODREIGSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-2-19-16-10-7-13(12-15(16)17)6-4-3-5-11-18-14-8-9-14/h7,10,12,14,18H,2-6,8-9,11H2,1H3.
What are the key properties of N-[5-(3-bromo-4-ethoxyphenyl)pentyl]cyclopropanamine?
N-[5-(3-bromo-4-ethoxyphenyl)pentyl]cyclopropanamine has a molecular weight of 326.28 g/mol, XLogP of 4.31, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-bromo-4-ethoxyphenyl)pentyl]cyclopropanamine is sourced from PubChem (CID 104662908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).