5-(3-bromo-4-ethoxyphenyl)pentan-1-amine

C13H20BrNO — CID 104662909

IUPAC5-(3-bromo-4-ethoxyphenyl)pentan-1-amine
SMILESCCOc1ccc(CCCCCN)cc1Br
InChIInChI=1S/C13H20BrNO/c1-2-16-13-8-7-11(10-12(13)14)6-4-3-5-9-15/h7-8,10H,2-6,9,15H2,1H3
InChIKeyRNPOAKXPIDCTSX-UHFFFAOYSA-N
MW286.21 g/mol
LogP3.52
Rot. Bonds7

About 5-(3-bromo-4-ethoxyphenyl)pentan-1-amine

5-(3-bromo-4-ethoxyphenyl)pentan-1-amine (PubChem CID 104662909) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is 5-(3-bromo-4-ethoxyphenyl)pentan-1-amine.

Molecular Properties

Compound Name5-(3-bromo-4-ethoxyphenyl)pentan-1-amine
PubChem CID104662909
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC Name5-(3-bromo-4-ethoxyphenyl)pentan-1-amine
SMILESCCOc1ccc(CCCCCN)cc1Br
InChIInChI=1S/C13H20BrNO/c1-2-16-13-8-7-11(10-12(13)14)6-4-3-5-9-15/h7-8,10H,2-6,9,15H2,1H3
InChIKeyRNPOAKXPIDCTSX-UHFFFAOYSA-N
XLogP3.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 53.52
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-bromo-1-ethoxy-4-pentylbenzene
CID 171368096
5-[3-bromo-4-(2-methoxyethoxy)phenyl]pentan-1-amine
CID 113438566
5-(3-bromo-4-ethoxyphenyl)-N-propylpentan-1-amine
CID 104662920
1-(3-bromo-4-ethoxyphenyl)heptan-4-amine
CID 83926181
5-(3-bromo-4-ethoxyphenyl)-N-(2-methylpropyl)pentan-1-amine
CID 104662891
N-[5-(3-bromo-4-ethoxyphenyl)pentyl]cyclopropanamine
CID 104662908
3-[3-bromo-4-(2-methylprop-2-enoxy)phenyl]propan-1-amine
CID 117457198
2-[1-[2-(3-bromo-4-ethoxyphenyl)ethyl]cyclopentyl]ethanamine
CID 104662944
4-(5-bromo-2-ethoxyphenyl)butan-1-amine
CID 65305852
2-[3-bromo-4-(3-ethylsulfanylpropoxy)phenyl]ethanamine
CID 113474019
1-(3-bromo-4-ethoxyphenyl)-N-methylmethanamine
CID 17157575
2-[3-bromo-4-(4-methylpentoxy)phenyl]ethanamine
CID 83162261

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-4-ethoxyphenyl)pentan-1-amine?
The IUPAC name of 5-(3-bromo-4-ethoxyphenyl)pentan-1-amine (CID 104662909) is 5-(3-bromo-4-ethoxyphenyl)pentan-1-amine.
What is the SMILES notation for 5-(3-bromo-4-ethoxyphenyl)pentan-1-amine?
The canonical SMILES for 5-(3-bromo-4-ethoxyphenyl)pentan-1-amine is CCOc1ccc(CCCCCN)cc1Br.
What is the InChIKey of 5-(3-bromo-4-ethoxyphenyl)pentan-1-amine?
The InChIKey is RNPOAKXPIDCTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO/c1-2-16-13-8-7-11(10-12(13)14)6-4-3-5-9-15/h7-8,10H,2-6,9,15H2,1H3.
What are the key properties of 5-(3-bromo-4-ethoxyphenyl)pentan-1-amine?
5-(3-bromo-4-ethoxyphenyl)pentan-1-amine has a molecular weight of 286.21 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-4-ethoxyphenyl)pentan-1-amine is sourced from PubChem (CID 104662909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).