5-(5-bromo-2-ethoxyphenyl)-N-(2-methylpropyl)pentan-1-amine

C17H28BrNO — CID 65305802

IUPAC5-(5-bromo-2-ethoxyphenyl)-N-(2-methylpropyl)pentan-1-amine
SMILESCCOc1ccc(Br)cc1CCCCCNCC(C)C
InChIInChI=1S/C17H28BrNO/c1-4-20-17-10-9-16(18)12-15(17)8-6-5-7-11-19-13-14(2)3/h9-10,12,14,19H,4-8,11,13H2,1-3H3
InChIKeyXEIOMZFYDGYIQX-UHFFFAOYSA-N
MW342.32 g/mol
LogP4.81
Rot. Bonds10

About 5-(5-bromo-2-ethoxyphenyl)-N-(2-methylpropyl)pentan-1-amine

5-(5-bromo-2-ethoxyphenyl)-N-(2-methylpropyl)pentan-1-amine (PubChem CID 65305802) has the molecular formula C17H28BrNO and a molecular weight of 342.32 g/mol. Its IUPAC name is 5-(5-bromo-2-ethoxyphenyl)-N-(2-methylpropyl)pentan-1-amine.

Molecular Properties

Compound Name5-(5-bromo-2-ethoxyphenyl)-N-(2-methylpropyl)pentan-1-amine
PubChem CID65305802
Molecular FormulaC17H28BrNO
Molecular Weight342.32 g/mol
Exact Mass341.14
IUPAC Name5-(5-bromo-2-ethoxyphenyl)-N-(2-methylpropyl)pentan-1-amine
SMILESCCOc1ccc(Br)cc1CCCCCNCC(C)C
InChIInChI=1S/C17H28BrNO/c1-4-20-17-10-9-16(18)12-15(17)8-6-5-7-11-19-13-14(2)3/h9-10,12,14,19H,4-8,11,13H2,1-3H3
InChIKeyXEIOMZFYDGYIQX-UHFFFAOYSA-N
XLogP4.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 54.81
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

6-(5-bromo-2-methoxyphenyl)-N-(2-methylpropyl)hexan-1-amine
CID 65308860
6-(2-ethoxy-5-methylphenyl)-N-(2-methylpropyl)hexan-1-amine
CID 65306555
N-[(5-bromo-2-ethoxyphenyl)methyl]-2-methylpropan-1-amine
CID 973105
5-(3-bromo-4-ethoxyphenyl)-N-(2-methylpropyl)pentan-1-amine
CID 104662891
4-(5-bromo-2-ethoxyphenyl)butan-1-amine
CID 65305852
6-(2-ethoxy-5-methylphenyl)-N-ethylhexan-1-amine
CID 65306553
5-(3-bromo-4-propoxyphenyl)-N-(2-methylpropyl)pentan-1-amine
CID 104662947
6-(4-ethoxyphenyl)-N-(2-methylpropyl)hexan-1-amine
CID 65308994
6-(2-ethoxy-5-methylphenyl)-N-propan-2-ylhexan-1-amine
CID 65306554
N-[[5-bromo-2-(3-methoxypropoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63056496
4-(5-bromo-2-methoxy-4-methylphenyl)-N-(2-methylpropyl)butan-1-amine
CID 65433200
N-[(5-bromo-2-ethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17292192

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-ethoxyphenyl)-N-(2-methylpropyl)pentan-1-amine?
The IUPAC name of 5-(5-bromo-2-ethoxyphenyl)-N-(2-methylpropyl)pentan-1-amine (CID 65305802) is 5-(5-bromo-2-ethoxyphenyl)-N-(2-methylpropyl)pentan-1-amine.
What is the SMILES notation for 5-(5-bromo-2-ethoxyphenyl)-N-(2-methylpropyl)pentan-1-amine?
The canonical SMILES for 5-(5-bromo-2-ethoxyphenyl)-N-(2-methylpropyl)pentan-1-amine is CCOc1ccc(Br)cc1CCCCCNCC(C)C.
What is the InChIKey of 5-(5-bromo-2-ethoxyphenyl)-N-(2-methylpropyl)pentan-1-amine?
The InChIKey is XEIOMZFYDGYIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrNO/c1-4-20-17-10-9-16(18)12-15(17)8-6-5-7-11-19-13-14(2)3/h9-10,12,14,19H,4-8,11,13H2,1-3H3.
What are the key properties of 5-(5-bromo-2-ethoxyphenyl)-N-(2-methylpropyl)pentan-1-amine?
5-(5-bromo-2-ethoxyphenyl)-N-(2-methylpropyl)pentan-1-amine has a molecular weight of 342.32 g/mol, XLogP of 4.81, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-ethoxyphenyl)-N-(2-methylpropyl)pentan-1-amine is sourced from PubChem (CID 65305802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).