(5-bromo-2-decoxyphenyl)methanamine

C17H28BrNO — CID 63499328

IUPAC(5-bromo-2-decoxyphenyl)methanamine
SMILESCCCCCCCCCCOc1ccc(Br)cc1CN
InChIInChI=1S/C17H28BrNO/c1-2-3-4-5-6-7-8-9-12-20-17-11-10-16(18)13-15(17)14-19/h10-11,13H,2-9,12,14,19H2,1H3
InChIKeyCGAUTQJGBWVOOF-UHFFFAOYSA-N
MW342.32 g/mol
LogP5.43
Rot. Bonds11

About (5-bromo-2-decoxyphenyl)methanamine

(5-bromo-2-decoxyphenyl)methanamine (PubChem CID 63499328) has the molecular formula C17H28BrNO and a molecular weight of 342.32 g/mol. Its IUPAC name is (5-bromo-2-decoxyphenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-2-decoxyphenyl)methanamine
PubChem CID63499328
Molecular FormulaC17H28BrNO
Molecular Weight342.32 g/mol
Exact Mass341.14
IUPAC Name(5-bromo-2-decoxyphenyl)methanamine
SMILESCCCCCCCCCCOc1ccc(Br)cc1CN
InChIInChI=1S/C17H28BrNO/c1-2-3-4-5-6-7-8-9-12-20-17-11-10-16(18)13-15(17)14-19/h10-11,13H,2-9,12,14,19H2,1H3
InChIKeyCGAUTQJGBWVOOF-UHFFFAOYSA-N
XLogP5.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.32
LogP ≤ 55.43
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-(5-bromo-2-heptoxyphenyl)ethanamine
CID 55199979
(5-bromo-2-octoxyphenyl)methanol
CID 3459846
1-(5-bromo-2-octoxyphenyl)propan-2-amine
CID 63421163
N-[(5-bromo-2-heptoxyphenyl)methyl]propan-1-amine
CID 43277545
1-(5-bromo-2-hexoxyphenyl)butan-2-amine
CID 63421563
5-bromo-2-hexoxyaniline
CID 28994958
2,4-dibromo-1-heptoxybenzene
CID 101293515
2,4-dibromo-1-octoxybenzene
CID 101293529
1-(5-bromo-2-pentoxyphenyl)butan-2-amine
CID 55197493
[5-bromo-2-(3-phenoxypropoxy)phenyl]methanamine
CID 62935735
(1S)-1-(5-bromo-2-hexoxyphenyl)ethanamine
CID 78937285
(1R)-1-(5-bromo-2-hexoxyphenyl)ethanamine
CID 55220592

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-decoxyphenyl)methanamine?
The IUPAC name of (5-bromo-2-decoxyphenyl)methanamine (CID 63499328) is (5-bromo-2-decoxyphenyl)methanamine.
What is the SMILES notation for (5-bromo-2-decoxyphenyl)methanamine?
The canonical SMILES for (5-bromo-2-decoxyphenyl)methanamine is CCCCCCCCCCOc1ccc(Br)cc1CN.
What is the InChIKey of (5-bromo-2-decoxyphenyl)methanamine?
The InChIKey is CGAUTQJGBWVOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrNO/c1-2-3-4-5-6-7-8-9-12-20-17-11-10-16(18)13-15(17)14-19/h10-11,13H,2-9,12,14,19H2,1H3.
What are the key properties of (5-bromo-2-decoxyphenyl)methanamine?
(5-bromo-2-decoxyphenyl)methanamine has a molecular weight of 342.32 g/mol, XLogP of 5.43, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-decoxyphenyl)methanamine is sourced from PubChem (CID 63499328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).