1-(5-bromo-2-pentoxyphenyl)butan-2-amine

C15H24BrNO — CID 55197493

IUPAC1-(5-bromo-2-pentoxyphenyl)butan-2-amine
SMILESCCCCCOc1ccc(Br)cc1CC(N)CC
InChIInChI=1S/C15H24BrNO/c1-3-5-6-9-18-15-8-7-13(16)10-12(15)11-14(17)4-2/h7-8,10,14H,3-6,9,11,17H2,1-2H3
InChIKeySVZAWNKMBSNJIX-UHFFFAOYSA-N
MW314.27 g/mol
LogP4.30
Rot. Bonds8

About 1-(5-bromo-2-pentoxyphenyl)butan-2-amine

1-(5-bromo-2-pentoxyphenyl)butan-2-amine (PubChem CID 55197493) has the molecular formula C15H24BrNO and a molecular weight of 314.27 g/mol. Its IUPAC name is 1-(5-bromo-2-pentoxyphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-pentoxyphenyl)butan-2-amine
PubChem CID55197493
Molecular FormulaC15H24BrNO
Molecular Weight314.27 g/mol
Exact Mass313.10
IUPAC Name1-(5-bromo-2-pentoxyphenyl)butan-2-amine
SMILESCCCCCOc1ccc(Br)cc1CC(N)CC
InChIInChI=1S/C15H24BrNO/c1-3-5-6-9-18-15-8-7-13(16)10-12(15)11-14(17)4-2/h7-8,10,14H,3-6,9,11,17H2,1-2H3
InChIKeySVZAWNKMBSNJIX-UHFFFAOYSA-N
XLogP4.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 54.30
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

1-(5-bromo-2-hexoxyphenyl)butan-2-amine
CID 63421563
1-(5-bromo-2-octoxyphenyl)propan-2-amine
CID 63421163
1-[5-bromo-2-(2-ethylhexoxy)phenyl]butan-2-amine
CID 63420992
1-(5-fluoro-2-heptoxyphenyl)butan-2-amine
CID 107701259
1-(5-bromo-2-pent-3-ynoxyphenyl)butan-2-amine
CID 104807733
(5-bromo-2-decoxyphenyl)methanamine
CID 63499328
2-(5-bromo-2-heptoxyphenyl)ethanamine
CID 55199979
(5-bromo-2-octoxyphenyl)methanol
CID 3459846
1-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]butan-2-amine
CID 63421165
1-[5-bromo-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]butan-2-amine
CID 114530903
5-bromo-2-hexoxyaniline
CID 28994958
1-[2-(4-methoxybutoxy)-5-methylphenyl]butan-2-amine
CID 104648841

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pentoxyphenyl)butan-2-amine?
The IUPAC name of 1-(5-bromo-2-pentoxyphenyl)butan-2-amine (CID 55197493) is 1-(5-bromo-2-pentoxyphenyl)butan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-pentoxyphenyl)butan-2-amine?
The canonical SMILES for 1-(5-bromo-2-pentoxyphenyl)butan-2-amine is CCCCCOc1ccc(Br)cc1CC(N)CC.
What is the InChIKey of 1-(5-bromo-2-pentoxyphenyl)butan-2-amine?
The InChIKey is SVZAWNKMBSNJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO/c1-3-5-6-9-18-15-8-7-13(16)10-12(15)11-14(17)4-2/h7-8,10,14H,3-6,9,11,17H2,1-2H3.
What are the key properties of 1-(5-bromo-2-pentoxyphenyl)butan-2-amine?
1-(5-bromo-2-pentoxyphenyl)butan-2-amine has a molecular weight of 314.27 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pentoxyphenyl)butan-2-amine is sourced from PubChem (CID 55197493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).