2-[5-bromo-2-(2-methylpentoxy)phenyl]ethanamine

C14H22BrNO — CID 62264353

IUPAC2-[5-bromo-2-(2-methylpentoxy)phenyl]ethanamine
SMILESCCCC(C)COc1ccc(Br)cc1CCN
InChIInChI=1S/C14H22BrNO/c1-3-4-11(2)10-17-14-6-5-13(15)9-12(14)7-8-16/h5-6,9,11H,3-4,7-8,10,16H2,1-2H3
InChIKeyTZQDQGICHYJJIY-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.77
Rot. Bonds7

About 2-[5-bromo-2-(2-methylpentoxy)phenyl]ethanamine

2-[5-bromo-2-(2-methylpentoxy)phenyl]ethanamine (PubChem CID 62264353) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is 2-[5-bromo-2-(2-methylpentoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[5-bromo-2-(2-methylpentoxy)phenyl]ethanamine
PubChem CID62264353
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC Name2-[5-bromo-2-(2-methylpentoxy)phenyl]ethanamine
SMILESCCCC(C)COc1ccc(Br)cc1CCN
InChIInChI=1S/C14H22BrNO/c1-3-4-11(2)10-17-14-6-5-13(15)9-12(14)7-8-16/h5-6,9,11H,3-4,7-8,10,16H2,1-2H3
InChIKeyTZQDQGICHYJJIY-UHFFFAOYSA-N
XLogP3.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2-methylpentoxy)phenyl]ethanamine
CID 62266954
2-[5-bromo-2-(3-methylbutoxy)phenyl]ethanamine
CID 60905415
2-(5-bromo-2-heptoxyphenyl)ethanamine
CID 55199979
2-(5-bromo-2-propan-2-yloxyphenyl)ethanamine
CID 60905780
2-(5-bromo-2-prop-2-enoxyphenyl)ethanamine
CID 60905064
2-[2-(2-aminoethyl)-4-bromophenoxy]-N-(3-methylbutyl)acetamide
CID 61487161
4-(5-bromo-2-ethoxyphenyl)butan-1-amine
CID 65305852
4-bromo-2-[(5-bromo-2-methoxyphenyl)methyl]-1-[(2S)-2-methylbutoxy]benzene
CID 139605000
2,4-dibromo-1-(2,6-dimethyloctoxy)benzene
CID 139967544
2-[5-bromo-2-(cyclopropylmethoxy)phenyl]ethanamine
CID 60906211
3-iodo-4-(2-methylpentoxy)aniline
CID 103282911
2-[5-bromo-2-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 60905993

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-2-(2-methylpentoxy)phenyl]ethanamine?
The IUPAC name of 2-[5-bromo-2-(2-methylpentoxy)phenyl]ethanamine (CID 62264353) is 2-[5-bromo-2-(2-methylpentoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[5-bromo-2-(2-methylpentoxy)phenyl]ethanamine?
The canonical SMILES for 2-[5-bromo-2-(2-methylpentoxy)phenyl]ethanamine is CCCC(C)COc1ccc(Br)cc1CCN.
What is the InChIKey of 2-[5-bromo-2-(2-methylpentoxy)phenyl]ethanamine?
The InChIKey is TZQDQGICHYJJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-3-4-11(2)10-17-14-6-5-13(15)9-12(14)7-8-16/h5-6,9,11H,3-4,7-8,10,16H2,1-2H3.
What are the key properties of 2-[5-bromo-2-(2-methylpentoxy)phenyl]ethanamine?
2-[5-bromo-2-(2-methylpentoxy)phenyl]ethanamine has a molecular weight of 300.24 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-2-(2-methylpentoxy)phenyl]ethanamine is sourced from PubChem (CID 62264353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).